Summary

IMPPAT Phytochemical identifier: IMPHY008048

Phytochemical name: Hinokiic acid

Synonymous chemical names:
hinokiic acid

External chemical identifiers:
CID:12310495

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Chemical structure information

SMILES:
OC(=O)C1=CC[C@]2([C@@]3([C@H]1C3)C(C)(C)CCC2)C

InChI:
InChI=1S/C15H22O2/c1-13(2)6-4-7-14(3)8-5-10(12(16)17)11-9-15(11,13)14/h5,11H,4,6-9H2,1-3H3,(H,16,17)/t11-,14-,15-/m0/s1

InChIKey:
QATLFHOGPLMQHU-CQDKDKBSSA-N

DeepSMILES:
OC=O)C=CC[C@][C@@][C@H]6C3))CC)C)CCC6)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC23CCCCC3C1

Scaffold Graph/Node level:
C1CCC23CC2CCCC3C1

Scaffold Graph level:
C1CCC23CC2CCCC3C1

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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: Thujopsane sesquiterpenoids

NP-Likeness score: 2.723

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Chemical structure download