Summary

IMPPAT Phytochemical identifier: IMPHY000440

Phytochemical name: Khusinodiol

Synonymous chemical names:
khusinodiol

External chemical identifiers:
CID:101254194, ZINC:ZINC000014918441

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Chemical structure information

SMILES:
CC1=C[C@@H]2[C@@H]([C@H](C1)O)[C@](C)(O)CC[C@H]2C(C)C

InChI:
InChI=1S/C15H26O2/c1-9(2)11-5-6-15(4,17)14-12(11)7-10(3)8-13(14)16/h7,9,11-14,16-17H,5-6,8H2,1-4H3/t11-,12-,13-,14-,15+/m0/s1

InChIKey:
NFSPTLKYFUJAOU-YYFQZIEXSA-N

DeepSMILES:
CC=C[C@@H][C@@H][C@H]C6)O))[C@]C)O)CC[C@H]6CC)C

Functional groups:
CC(C)=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: 3.079

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Chemical structure download