Summary

IMPPAT Phytochemical identifier: IMPHY013537

Phytochemical name: Jinkohol

Synonymous chemical names:
jinkohol

External chemical identifiers:
CID:73950881, ZINC:ZINC000033950732

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Chemical structure information

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

InChI:
InChI=1S/C15H26O/c1-10-5-6-12-13(2,3)14(4,16)11-7-8-15(10,12)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,14-,15-/m0/s1

InChIKey:
IJVXAOHQRPSJDV-HPYVJYLESA-N

DeepSMILES:
C[C@H]CC[C@H][C@]5CC[C@H]C5)[C@]C7C)C))C)O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC3CCC2(C1)C3

Scaffold Graph/Node level:
C1CC2CCC3CCC2(C1)C3

Scaffold Graph level:
C1CC2CCC3CCC2(C1)C3

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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: Prezizaane sesquiterpenoids

NP-Likeness score: 3.177

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Chemical structure download