Summary

IMPPAT Phytochemical identifier: IMPHY005147

Phytochemical name: Khusimol

Synonymous chemical names:
khusenol, khusimol, khusimol=khusenol

External chemical identifiers:
CID:167519, ChEMBL:CHEMBL511334, FDASRS:T4N33ECG0W, SureChEMBL:SCHEMBL16982577

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Chemical structure information

SMILES:
OC[C@H]1CC[C@H]2[C@@]31CC[C@H](C3)C(C2=C)(C)C

InChI:
InChI=1S/C15H24O/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h11-13,16H,1,4-9H2,2-3H3/t11-,12-,13-,15+/m1/s1

InChIKey:
OOYRHNIVDZZGQV-BHPKHCPMSA-N

DeepSMILES:
OC[C@H]CC[C@H][C@]5CC[C@H]C5)CC7=C))C)C

Functional groups:
C=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCC3(CCCC13)C2

Scaffold Graph/Node level:
CC1CC2CCC3(CCCC13)C2

Scaffold Graph level:
CC1CC2CCC3(CCCC13)C2

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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: Zizaane sesquiterpenoids

NP-Likeness score: 3.402

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Chemical structure download