Summary

IMPPAT Phytochemical identifier: IMPHY002151

Phytochemical name: 3-Cyclopentene-1-acetic acid, 2,2,3-trimethyl-, (R)-

Synonymous chemical names:
alpha-campholenic-acid

External chemical identifiers:
CID:12302349, ZINC:ZINC000001676577

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Chemical structure information

SMILES:
OC(=O)C[C@H]1CC=C(C1(C)C)C

InChI:
InChI=1S/C10H16O2/c1-7-4-5-8(6-9(11)12)10(7,2)3/h4,8H,5-6H2,1-3H3,(H,11,12)/t8-/m1/s1

InChIKey:
RKLDHGIEBMSKAK-MRVPVSSYSA-N

DeepSMILES:
OC=O)C[C@H]CC=CC5C)C))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 1.841

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Chemical structure download