KNApSAcK Metabolite Information

input word = C00003110

Metabolite Information

Structural formula

Name

beta-Caryophyllene
(E)-beta-Caryophyllene
caryophyllene
Caryophyllene
(E)-Caryophyllene
(-)-(E)-Caryophyllene
trans-Caryophyllene
trans-beta-Caryophyllene

Formula

C15H24

204.18780077

CAS RN

87-44-5

C_ID

C00003110 ,

InChIKey

NPNUFJAVOOONJE-UNCLKFFANA-N

InChICode

InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1

SMILES

C=C1CC/C=C(C)CC[C@@H]2[C@@H]1CC2(C)C

Start Substs in Alk. Biosynthesis (Prediction)

Organism

Kingdom	Family	Species	Reference
Animalia	Hominidae	Homo sapiens (Exhaled breath)	Ref.
Fungi	Davidiellaceae	Cladosporium cladosporioides	Ref.
Plantae	Acanthaceae	Strobilanthes ixiocephala	Ref.
Plantae	Acoraceae	Acorus calamus	Ref.
Plantae	Anacardiaceae	Anacardium occidentale	Ref.
Plantae	Anacardiaceae	Mangifera indica	Ref.
Plantae	Anacardiaceae	Schinus terebinthus	Ref.
Plantae	Annonaceae	Annona glabra	Ref.
Plantae	Annonaceae	Annona muricata	Ref.
Plantae	Annonaceae	Annona squamosa	Ref.
Plantae	Annonaceae	Cananga odorata	Ref.
Plantae	Annonaceae	Guatteriopsis blepharophylla	Ref.
Plantae	Annonaceae	Guatteriopsis hispida	Ref.
Plantae	Annonaceae	Monodora myristica	Ref.
Plantae	Annonaceae	Xylopia aethiopica	Ref.
Plantae	Annonaceae	Xylopia frutescens	Ref.
Plantae	Annonaceae	Xylopia parviflora	Ref.
Plantae	Annonaceae	Xylopia rubescens	Ref.
Plantae	Annonaceae	Xylopia sericea	Ref.
Plantae	Apiaceae	Apium graveolens	Ref.
Plantae	Apiaceae	Cuminum cyminum L.	Ref.
Plantae	Apiaceae	Daucus carota	Ref.
Plantae	Apiaceae	Foeniculum vulgare	Ref.
Plantae	Apiaceae	Petroselinum crispum	Ref.
Plantae	Apiaceae	Peucedanum paniculatum L.	Ref.
Plantae	Apocynaceae	Tabernaemontana catharinensis	Ref.
Plantae	Araliaceae	Centella asiatica	Ref.
Plantae	Aristolochiaceae	Aristolochia trilobata	Ref.
Plantae	Asteraceae	Ageratina conyzoides	Ref.
Plantae	Asteraceae	Ageratina jocotepecana	Ref.
Plantae	Asteraceae	Ambrosia artemisiifolia	Ref.
Plantae	Asteraceae	Ambrosia trifida	Ref.
Plantae	Asteraceae	Artemisia anethoides	Ref.
Plantae	Asteraceae	Artemisia annua	Ref.
Plantae	Asteraceae	Artemisia annua L.cultivar Jwarharti	Ref.
Plantae	Asteraceae	Artemisia spp.	Ref.
Plantae	Asteraceae	Carthamus tinctorius	Ref.
Plantae	Asteraceae	Centaurea armena	Ref.
Plantae	Asteraceae	Centaurea atropurpurea	Ref.
Plantae	Asteraceae	Centaurea orientalis	Ref.
Plantae	Asteraceae	Centaurea sessilis	Ref.
Plantae	Asteraceae	Chamaemelum nobile	Ref.
Plantae	Asteraceae	Chamomilla recutina	Ref.
Plantae	Asteraceae	Cyathocline purpurea	Ref.
Plantae	Asteraceae	Dittrichia graveolens	Ref.
Plantae	Asteraceae	Eupatorium adenophorum	Ref.
Plantae	Asteraceae	Helianthus annuus	Ref.
Plantae	Asteraceae	Matricaria chamomilla	Ref.
Plantae	Asteraceae	Matricaria domestica	Ref.
Plantae	Asteraceae	Matricaria micrantha	Ref.
Plantae	Asteraceae	Matricaria recutita	Ref.
Plantae	Asteraceae	Petasites albus	Ref.
Plantae	Asteraceae	Petasites hybridus	Ref.
Plantae	Asteraceae	Phagnalon sordidum	Ref.
Plantae	Asteraceae	Pteronia eenii	Ref.
Plantae	Asteraceae	Rhaponticum carthamoides	Ref.
Plantae	Asteraceae	Senecio vulgaris	Ref.
Plantae	Asteraceae	Serratula wolfi	Ref.
Plantae	Asteraceae	Solidago canadensis	Ref.
Plantae	Asteraceae	Tanacetum macrophyllum	Ref.
Plantae	Asteraceae	Trichogonia grazielae	Ref.
Plantae	Burseraceae	Commiphora holtziana	Ref.
Plantae	Canellaceae	Canella winterana	Ref.
Plantae	Canellaceae	Pleodendron costaricense	Ref.
Plantae	Cannabaceae	Cannabis inflorescences	Ref.
Plantae	Cannabaceae	Humulus lupulus	Ref.
Plantae	Caricaceae	Carica papaya	Ref.
Plantae	Caryophyllaceae	Dianthus caryophyllus L.	Ref.
Plantae	Cistaceae	Cistus albidus	Ref.
Plantae	Cistaceae	Cistus creticus	Ref.
Plantae	Cornaceae/Aucubaceae/Garryaceae/Helwingiaceae	Cornus officinalis	Ref.
Plantae	Crassulaceae	Rhodiola rosea L.	Ref.
Plantae	Cruciferae	Arabidopsis thaliana	Ref.
Plantae	Cruciferae	Capsella bursa-pastoris	Ref.
Plantae	Cupressaceae	Chamaecyparis formosensis	Ref.
Plantae	Cupressaceae	Juniperus spp.	Ref.
Plantae	Cyperaceae	Cyperus alopecuroides	Ref.
Plantae	Cyperaceae	Cyperus rotundus L.	Ref.
Plantae	Fabaceae	Copaifera spp.	Ref.
Plantae	Fabaceae	Medicago sativa	Ref.
Plantae	Fabaceae	Rhynchosia minima	Ref.
Plantae	Fabaceae	Tipuana tipu	Ref.
Plantae	Fabaceae	Trifolium repens L.	Ref.
Plantae	Fagaceae	Quercus coccifera	Ref.
Plantae	Illiciaceae	Illicium anisatum	Ref.
Plantae	Jubulaceae	Frullania aterrima var. aterrima	Ref.
Plantae	Jubulaceae	Frullania falciloba	Ref.
Plantae	Jubulaceae	Frullania monocera	Ref.
Plantae	Jubulaceae	Frullania probosciphora	Ref.
Plantae	Jubulaceae	Frullania pycnantha	Ref.
Plantae	Jubulaceae	Frullania spinifera	Ref.
Plantae	Labiatae	Caryopteris spp.	Ref.
Plantae	Labiatae	Clinopodium nepeta	Ref.
Plantae	Labiatae	Lavandula angustifolia	Ref.
Plantae	Labiatae	Lavandula bipinnata	Ref.
Plantae	Labiatae	Lavandula canarien-sis	Ref.
Plantae	Labiatae	Lavandula dentata	Ref.
Plantae	Labiatae	Lavandula gibsoni	Ref.
Plantae	Labiatae	Lavandula multifida	Ref.
Plantae	Labiatae	Lavandula spp.	Ref.
Plantae	Labiatae	Melissa officinalis	Ref.
Plantae	Labiatae	Mentha arvensis L.	Ref.
Plantae	Labiatae	Mentha piperita L.	Ref.
Plantae	Labiatae	Mentha pulegium L.	Ref.
Plantae	Labiatae	Mentha spp.	Ref.
Plantae	Labiatae	Ocimum americanum	Ref.
Plantae	Labiatae	Ocimum basilicum	Ref.
Plantae	Labiatae	Ocimum gratissimum	Ref.
Plantae	Labiatae	Ocimum kilimandscharicim	Ref.
Plantae	Labiatae	Ocimum kilimandscharicum	Ref.
Plantae	Labiatae	Ocimum tenuiflorum	Ref.
Plantae	Labiatae	Origanum vulgare	Ref.
Plantae	Labiatae	Perilla frutescens	Ref.
Plantae	Labiatae	Perilla ocimoides	Ref.
Plantae	Labiatae	Pogostemon cablin	Ref.
Plantae	Labiatae	Rosmarinus officinalis	Ref.
Plantae	Labiatae	Salvia canariensis L.	Ref.
Plantae	Labiatae	Salvia officinalis	Ref.
Plantae	Labiatae	Salvia spp.	Ref.
Plantae	Labiatae	Satureja subspicata	Ref.
Plantae	Labiatae	Thymus broussonetti	Ref.
Plantae	Labiatae	Thymus capitatus	Ref.
Plantae	Labiatae	Thymus maroccanus	Ref.
Plantae	Labiatae	Thymus piperella	Ref.
Plantae	Labiatae	Thymus praecos	Ref.
Plantae	Labiatae	Thymus spp.	Ref.
Plantae	Labiatae	Thymus vulgaris	Ref.
Plantae	Labiatae	Trichostema lanceolatum	Ref.
Plantae	Labiatae	Vitex negundo	Ref.
Plantae	Lamiaceae	Calamintha nepeta	Ref.
Plantae	Lamiaceae	Coleus aromaticus	Ref.
Plantae	Lauraceae	Cinnamomum camphora	Ref.
Plantae	Lauraceae	Cinnamomum illicioides	Ref.
Plantae	Lauraceae	Cinnamomum spp.	Ref.
Plantae	Lauraceae	Cinnamomum zeylanicum	Ref.
Plantae	Lauraceae	Laurus nobilis	Ref.
Plantae	Lauraceae	Litsea cubeba	Ref.
Plantae	Lauraceae	Litsea zeylanica	Ref.
Plantae	Lauraceae	Ocotea meziana	Ref.
Plantae	Lauraceae	Ocotea sinuata	Ref.
Plantae	Lauraceae	Ocotea whitei	Ref.
Plantae	Lepidoziaceae	Lepidozia fauriana	Ref.
Plantae	Lythraceae	Punica granatum	Ref.
Plantae	Magnoliaceae	Magnolia liliiflora	Ref.
Plantae	Magnoliaceae	Magnolia officinalis	Ref.
Plantae	Malvaceae	Abutilon indicum	Ref.
Plantae	Meliaceae	Azadirachta indica	Ref.
Plantae	Meliaceae	Guarea macrophylla ssp.tuberculata	Ref.
Plantae	Myrtaceae	Acca sellowiana	Ref.
Plantae	Myrtaceae	Eucalyptus spp.	Ref.
Plantae	Myrtaceae	Eugenia caryophyllata	Ref.
Plantae	Myrtaceae	Eugenia zuchowskiae	Ref.
Plantae	Myrtaceae	Leptospermum scoparium	Ref.
Plantae	Myrtaceae	Melaleuca leucadendra L.	Ref.
Plantae	Myrtaceae	Myrtus communis	Ref.
Plantae	Myrtaceae	Psidium guajava	Ref.
Plantae	Nymphaeaceae	Nymphaea caerulea	Ref.
Plantae	Onagraceae	Clarkia sativus	Ref.
Plantae	Pinaceae	Cedrus libani	Ref.
Plantae	Pinaceae	Pinus eldarica	Ref.
Plantae	Pinaceae	Pinus halepensis	Ref.
Plantae	Pinaceae	Pinus kochiana	Ref.
Plantae	Pinaceae	Pinus mugo subsp. Mugo	Ref.
Plantae	Pinaceae	Pinus pallasiana	Ref.
Plantae	Pinaceae	Pinus sibirica	Ref.
Plantae	Pinaceae	Pinus sosnowskyi	Ref.
Plantae	Pinaceae	Pinus spp.	Ref.
Plantae	Pinaceae	Pinus sylvestris L.var.sylvestris.	Ref.
Plantae	Pinaceae	Pinus taeda	Ref.
Plantae	Piperaceae	Piper arboreum	Ref.
Plantae	Piperaceae	Piper nigrum	Ref.
Plantae	Plantaginaceae	Veronica spicata	Ref.
Plantae	Poaceae	Capillipedium parviflorum	Ref.
Plantae	Poaceae	Phyllostachys dulcis	Ref.
Plantae	Poaceae	Zea mays	Ref.
Plantae	Polygonaceae	Polygonum minus	Ref.
Plantae	Primulaceae	Primula halleri	Ref.
Plantae	Ptilidiaceae	Ptilidium ciliare	Ref.
Plantae	Rutaceae	Atalantia guillauminii	Ref.
Plantae	Rutaceae	Citrus aurantifolia	Ref.
Plantae	Rutaceae	Citrus aurantium	Ref.
Plantae	Rutaceae	Citrus grandis	Ref.
Plantae	Rutaceae	Citrus hystrix	Ref.
Plantae	Rutaceae	Citrus latifolia	Ref.
Plantae	Rutaceae	Citrus limon	Ref.
Plantae	Rutaceae	Citrus medica	Ref.
Plantae	Rutaceae	Citrus paradise x Poncirus trifoliata	Ref.
Plantae	Rutaceae	Citrus paradisi	Ref.
Plantae	Rutaceae	Citrus reticulata	Ref.
Plantae	Rutaceae	Citrus reticulate x Citrus sinensis	Ref.
Plantae	Rutaceae	Citrus sinensis	Ref.
Plantae	Rutaceae	Citrus sinki x Poncirus trifoliata	Ref.
Plantae	Rutaceae	Citrus spp.	Ref.
Plantae	Rutaceae	Clausena excavata	Ref.
Plantae	Rutaceae	Fortunella margarita	Ref.
Plantae	Rutaceae	Murraya exotica	Ref.
Plantae	Rutaceae	Murraya paniculata	Ref.
Plantae	Rutaceae	Phellodendron amurense	Ref.
Plantae	Rutaceae	Poncirus trifoliata	Ref.
Plantae	Rutaceae	Poncirus trifoliate x Citrus sinensis	Ref.
Plantae	Rutaceae	Zanthoxylum armatum	Ref.
Plantae	Saururaceae	Houttuynia cordata	Ref.
Plantae	Saururaceae	Houttuynia emeiensis	Ref.
Plantae	Scapaniaceae	Scapania undulata	Ref.
Plantae	Solanaceae	Mandragora autumnalis	Ref.
Plantae	Solanaceae	Nicotiana alata	Ref.
Plantae	Solanaceae	Nicotiana cavicola	Ref.
Plantae	Solanaceae	Nicotiana ingulba	Ref.
Plantae	Solanaceae	Nicotiana langsdorffii	Ref.
Plantae	Solanaceae	Nicotiana mutabilis	Ref.
Plantae	Solanaceae	Nicotiana tabacum	Ref.
Plantae	Solanaceae	Solanum lycopersicum	Ref.
Plantae	Solanaceae	Solanum tuberosum	Ref.
Plantae	Taxaceae	Taxus chinensis	Ref.
Plantae	Taxaceae	Taxus wallichiana	Ref.
Plantae	Taxodiaceae	Taiwania cryptomerioides	Ref.
Plantae	Theaceae	Camellia sinensis	Ref.
Plantae	Turneraceae	Turnera diffusa	Ref.
Plantae	Valerianaceae/Linnaeaceae/Dipsacaceae/Diervillaceae	Valeriana jatamansi	Ref.
Plantae	Valerianaceae/Linnaeaceae/Dipsacaceae/Diervillaceae	Valeriana officinalis	Ref.
Plantae	Verbenaceae	Lantana camara L.	Ref.
Plantae	Verbenaceae	Lippia angustifolia	Ref.
Plantae	Vitaceae	Vitis vinifera	Ref.
Plantae	Zingiberaceae	Aframomum melegueta	Ref.
Plantae	Zingiberaceae	Curcuma aeruginosa	Ref.
Plantae	Zingiberaceae	Curcuma amada	Ref.
Plantae	Zingiberaceae	Curcuma amanda Roxb	Ref.
Plantae	Zingiberaceae	Curcuma aromatica	Ref.
Plantae	Zingiberaceae	Curcuma kwangsiensis	Ref.
Plantae	Zingiberaceae	Curcuma longa	Ref.
Plantae	Zingiberaceae	Curcuma mangga	Ref.
Plantae	Zingiberaceae	Curcuma phaeocaulis	Ref.
Plantae	Zingiberaceae	Curcuma wenyujin	Ref.
Plantae	Zingiberaceae	Curcuma xanthorrhiza	Ref.
Plantae	Zingiberaceae	Curcuma zedoria	Ref.
Plantae	Zingiberaceae	Zingiber cassumunar Roxb.	Ref.
Plantae	Zingiberaceae	Zingiber officinale	Ref.
-	-	Alphinia galanga	Ref.
-	-	Baeckea frutescens L.	Ref.
-	-	Gackstroemia magellanica	Ref.
-	-	Lavandin abrialis	Ref.

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Organism	Eupatorium adenophorum
Reference	Singh, B and Sharma, R. A., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.