Summary

IMPPAT Phytochemical identifier: IMPHY010644

Phytochemical name: Doremone A

Synonymous chemical names:
doremone a

Chemical structure information

SMILES:
COc1ccc2c(c1)OC(=O)[C@@]1(C2=O)[C@H](CC[C@@]1(C)C=C)C(C(=O)C(C=C(C)C)O)C

InChI:
InChI=1S/C25H30O6/c1-7-24(5)11-10-18(15(4)21(27)19(26)12-14(2)3)25(24)22(28)17-9-8-16(30-6)13-20(17)31-23(25)29/h7-9,12-13,15,18-19,26H,1,10-11H2,2-6H3/t15?,18-,19?,24-,25+/m1/s1

InChIKey:
NOGAHNFBOPPWOG-QSTBUICXSA-N

DeepSMILES:
COcccccc6)OC=O)[C@@]C6=O))[C@H]CC[C@@]5C)C=C)))))CC=O)CC=CC)C)))O)))C

Functional groups:
C=CC, CC(C)=O, CC=C(C)C, CO, cC(C)=O, cOC, cOC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Oc2ccccc2C(=O)C12CCCC2

Scaffold Graph/Node level:
OC1OC2CCCCC2C(O)C12CCCC2

Scaffold Graph level:
CC1CC2CCCCC2C(C)C12CCCC2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.842

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Chemical structure download