Summary

IMPPAT Phytochemical identifier: IMPHY008861

Phytochemical name: Jinkohol II

Synonymous chemical names:
jinkohol-ii

External chemical identifiers:
CID:101603330

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Chemical structure information

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

InChI:
InChI=1S/C14H24O/c1-9-4-5-11-13(2,3)12(15)10-6-7-14(9,11)8-10/h9-12,15H,4-8H2,1-3H3/t9-,10+,11+,12+,14-/m0/s1

InChIKey:
RJTVRURTSNYWOY-KSFQGOMNSA-N

DeepSMILES:
C[C@H]CC[C@H][C@]5CC[C@H]C5)[C@H]C7C)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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Prezizaane sesquiterpenoids

NP-Likeness score: 3.353

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Chemical structure download