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COCONUT Compound

GERANYL ACETATE

CNP0301697.2 · C12H20O2 · View on COCONUT ↗

2D Structure

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Identifiers

NameGERANYL ACETATE
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] acetate
COCONUT IDCNP0301697.2
CAS105-87-3, 68311-13-7, CAS-105-87-3, 8022-83-1, 33843-18-4
InChIKeyHIGQPQRQIQDZMP-DHZHZOJOSA-N
InChIInChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
SMILESCC(=O)OC/C=C(\C)CCC=C(C)C

Properties

Molecular FormulaC12H20O2
Molecular Weight196.29
Exact Mass196.14633
Log P (ALogP)3.24
TPSA26.30
H-Bond Donors / Acceptors0 / 2
Rotatable Bonds5
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.50
NP-likeness2.40

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassAcyclic monoterpenoids
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Cymbopogon winterianus as “Cymbopogon winterianus” in COCONUT
Mentha piperita as “Mentha Piperita; Mentha piperita L.” in COCONUT
Daucus carota as “Daucus carota; Daucus carota subsp. sativus” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Cinnamomum verum as “Cinnamomum zeylanicum” in COCONUT
Cymbopogon martini as “Cymbopogon Martinii” in COCONUT

References (174)

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Showing 40 of 174. See all references on COCONUT.

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.