Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001052

Phytochemical name: alpha-Campholenal

Synonymous chemical names:
α-campholenal*, alpha-campholene aldehyde, alpha-campholenal, α- campholene aldehyde, γ-campholene aldehyde, campholenic-aldehyde, alpha-Campholenal, campholenal, alpha, campholenic aldehyde, α-campholenal

External chemical identifiers:
CID:CID_1252759, ChEMBL:CHEMBL3184714, ChEBI:CHEBI:49150, ZINC:ZINC000001063075, FDASRS:75LU5216DI, SureChEMBL:SCHEMBL15316770, MolPort-006-116-272

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1

InChIKey:
OGCGGWYLHSJRFY-SECBINFHSA-N

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

Functional groups:
CC=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: 2.276

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Chemical structure download