Summary

IMPPAT Phytochemical identifier: IMPHY009830

Phytochemical name: Khusinol acetate

Synonymous chemical names:
khusinol acetate

External chemical identifiers:
CID:91746699

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Chemical structure information

SMILES:
CC(=O)O[C@H]1CC(=CC2C1C(=C)CC[C@H]2C(C)C)C

InChI:
InChI=1S/C17H26O2/c1-10(2)14-7-6-12(4)17-15(14)8-11(3)9-16(17)19-13(5)18/h8,10,14-17H,4,6-7,9H2,1-3,5H3/t14-,15?,16-,17?/m0/s1

InChIKey:
FRBOFOXWQNXDHB-SOEBMCCKSA-N

DeepSMILES:
CC=O)O[C@H]CC=CCC6C=C)CC[C@H]6CC)C)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2C=CCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 2.945

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Chemical structure download