input word = C00029919

Metabolite InformationStructural formula
Name Celastrol
Formula C29H38O4
Mw 450.2770097
CAS RN 34157-83-0
C_ID C00029919 ,
InChIKey KQJSQWZMSAGSHN-SODQMHTBNA-N
InChICode InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
SMILES C1(=O)C(=C(C2=CC=C3[C@](C2=C1)(CC[C@@]1([C@@]3(CC[C@@]2([C@H]1C[C@@](CC2)(C(=O)O)C)C)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus orbiculatus Ref.
PlantaeCelastraceaeCelastrus scandens Ref.
PlantaeCelastraceaeCrossopetalum gaumeri Ref.
PlantaeCelastraceaeSalacia campestris Ref.
PlantaeCelastraceaeSalacia kraussii Ref.
PlantaeCelastraceaeTripterygium hypoglaucum Ref.
PlantaeCelastraceaeTripterygium regelii Ref.
PlantaeCelastraceaeTripterygium wilfordii Hook f. Ref.
--celastrus strigillosus Ref.
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