COCONUT Compound

(+)-delta-Cadinene

CNP0357544.3 · C15H24 · View on COCONUT ↗

This compound is also curated in GR-MAPs, with spectra, bioactivity and 3D structure: view GR-MAPs record MOL10

Identifiers

Name(+)-delta-Cadinene
IUPAC Name(1~{S},8~{a}~{R})-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8~{a}-hexahydronaphthalene
COCONUT IDCNP0357544.3
CAS483-76-1
InChIKeyFUCYIEXQVQJBKY-ZFWWWQNUSA-N
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1
SMILESCC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.73
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.54
NP-likeness2.47

Classification

NP PathwayTerpenoids
NP SuperclassSesquiterpenoids
NP ClassCadinane sesquiterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassSesquiterpenoids

Reported in GR-MAPs Plants

Centella asiatica as “Centella asiatica” in COCONUT
Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT
Mucuna pruriens as “Mucuna prurita” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Ocimum basilicum as “Ocimum basilicum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia annua; Artemisia annua L.” in COCONUT
Mentha piperita as “Mentha piperita” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis; Rosmarinus officinalis L.” in COCONUT
Mentha Arvensis as “Mentha arvensis L.” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Piper auritum as “Piper auritum” in COCONUT
Ajuga chamaepitys as “Ajuga chamaepitys” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Azadirachta indica as “Azadirachta indica” in COCONUT
Valeriana jatamansi as “Valeriana jatamansi” in COCONUT
Cinnamomum verum as “Cinnamomum zeylanicum” in COCONUT
Cymbopogon martini as “Cymbopogon martinii” in COCONUT
Eucalyptus citriodora as “Corymbia citriodora; Eucalyptus citriodora” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in 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.