Summary

IMPPAT Phytochemical identifier: IMPHY015617

Phytochemical name: Dihydro-myrcenol acetate

Synonymous chemical names:
dihydro myrcenol acetate, dihydro-myrcenol acetate

External chemical identifiers:
CID:6432847, ZINC:ZINC000002391027

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Chemical structure information

SMILES:
CCC(=C)CCCC(OC(=O)C)(C)C

InChI:
InChI=1S/C12H22O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h2,6-9H2,1,3-5H3

InChIKey:
VHVRYMDFTKNLFA-UHFFFAOYSA-N

DeepSMILES:
CCC=C)CCCCOC=O)C)))C)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP-Likeness score: 1.696

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Chemical structure download