Summary

IMPPAT Phytochemical identifier: IMPHY003261

Phytochemical name: Odolactone

Synonymous chemical names:
odolactone

External chemical identifiers:
CID:353084

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Chemical structure information

SMILES:
O=C1CCC2[C@]([C@H]1C)(C)CCC1[C@@]2(C)CC2OC(=O)C31C2(C)C1CC(C)(C)CC[C@@]1(CC3)C

InChI:
InChI=1S/C30H46O3/c1-18-19(31)8-9-20-27(18,5)11-10-21-28(20,6)17-23-29(7)22-16-25(2,3)12-13-26(22,4)14-15-30(21,29)24(32)33-23/h18,20-23H,8-17H2,1-7H3/t18-,20?,21?,22?,23?,26+,27+,28-,29?,30?/m0/s1

InChIKey:
OVNXMWUNMVCHDQ-BIRTUPNKSA-N

DeepSMILES:
O=CCCC[C@][C@H]6C))C)CCC[C@@]6C)CCOC=O)C7C5C)CCCC)C)CC[C@@]6CC%10))C

Functional groups:
CC(C)=O, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C(CCC3C2CC2OC(=O)C34CCC3CCCCC3C24)C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C2CC2OC(O)C34CCC3CCCCC3C24)C1

Scaffold Graph level:
CC1CCC2C(CCC3C2CC2CC(C)C34CCC3CCCCC3C24)C1

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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: Friedelane triterpenoids

NP-Likeness score: 2.874

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Chemical structure download