Summary

IMPPAT Phytochemical identifier: IMPHY014518

Phytochemical name: (3R)-3alpha-Hydroxy-4beta-isopropylcyclohexene-1-carbaldehyde

Synonymous chemical names:
eucamalol

External chemical identifiers:
CID:91884957, ZINC:ZINC000012153354, MolPort-035-706-109

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Chemical structure information

SMILES:
O=CC1=C[C@@H]([C@H](CC1)C(C)C)O

InChI:
InChI=1S/C10H16O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5-7,9-10,12H,3-4H2,1-2H3/t9-,10+/m1/s1

InChIKey:
ZPACRXLIAKZISA-ZJUUUORDSA-N

DeepSMILES:
O=CC=C[C@@H][C@H]CC6))CC)C)))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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 Classifier Class: Menthane monoterpenoids

NP-Likeness score: 2.644

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Chemical structure download