Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005762

Phytochemical name: Dihydrocarvyl acetate

Synonymous chemical names:
dihydrocarvyl acetate, l-dihydrocarveol, dihydrocarvyl acetate, dihydrocarveol acetate, Dihydrocarvyl acetate, dihydocarvyl acetate

External chemical identifiers:
CID:CID_30248, ChEMBL:CHEMBL1730107, ChEBI:CHEBI:172055, SureChEMBL:SCHEMBL29674, MolPort-003-927-484

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Chemical structure information

SMILES:
CC(=O)OC1CC(CCC1C)C(=C)C

InChI:
InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3

InChIKey:
TUSIZTVSUSBSQI-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCCCCC6C))))C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

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: 2.035

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Chemical structure download