Summary

IMPPAT Phytochemical identifier: IMPHY002386

Phytochemical name: Coriandrinonediol

Synonymous chemical names:
coriandrinonediol

Chemical structure information

SMILES:
OC1CC2C3(C)CCC(C(C3CCC2(C2(C1C1(C)C(=O)CCC(C1CC2)(C)C)C)C)(C)C)O

InChI:
InChI=1S/C30H50O3/c1-25(2)13-11-23(33)30(8)19(25)9-16-29(7)24(30)18(31)17-21-27(5)14-12-22(32)26(3,4)20(27)10-15-28(21,29)6/h18-22,24,31-32H,9-17H2,1-8H3

InChIKey:
GGVUQGXIFKUXHY-UHFFFAOYSA-N

DeepSMILES:
OCCCCC)CCCCC6CCC%10CC%14CC)C=O)CCCC6CC%10)))C)C)))))))C))C)))))C)C))O

Functional groups:
CC(C)=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2CCC3C4CCC5CCCCC5C4CCC3C12

Scaffold Graph/Node level:
OC1CCCC2CCC3C4CCC5CCCCC5C4CCC3C12

Scaffold Graph level:
CC1CCCC2CCC3C4CCC5CCCCC5C4CCC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Oleanane triterpenoids

NP-Likeness score: 2.812

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Chemical structure download