Summary

IMPPAT Phytochemical identifier: IMPHY007823

Phytochemical name: Colensenone

Synonymous chemical names:
colensenone

External chemical identifiers:
CID:101603220, ZINC:ZINC000015169855

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Chemical structure information

SMILES:
C=C[C@@]1(C)CC[C@H]2[C@@](O1)(C)CC[C@@H]1[C@]2(C)CC(=O)C1(C)C

InChI:
InChI=1S/C19H30O2/c1-7-17(4)10-8-14-18(5)12-15(20)16(2,3)13(18)9-11-19(14,6)21-17/h7,13-14H,1,8-12H2,2-6H3/t13-,14+,17-,18-,19+/m0/s1

InChIKey:
FJWOJBDVJXUBLL-AQQQZIQISA-N

DeepSMILES:
C=C[C@@]C)CC[C@H][C@@]O6)C)CC[C@@H][C@]6C)CC=O)C5C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC3OCCCC3C2C1

Scaffold Graph/Node level:
OC1CC2CCC3OCCCC3C2C1

Scaffold Graph level:
CC1CC2CCC3CCCCC3C2C1

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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: Diterpenoids

NP Classifier Class: Labdane diterpenoids

NP-Likeness score: 3.209

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Chemical structure download