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COCONUT Compound

(-)-gamma-cadinene

CNP0123983.6 · C15H24 · View on COCONUT ↗

2D Structure

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Identifiers

Name(-)-gamma-cadinene
IUPAC Name(1~{R},4~{a}~{S},8~{a}~{S})-1-isopropyl-7-methyl-4-methylene-2,3,4~{a},5,6,8~{a}-hexahydro-1~{H}-naphthalene
COCONUT IDCNP0123983.6
CAS1460-97-5, 39029-41-9
InChIKeyWRHGORWNJGOVQY-RBSFLKMASA-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,4-8H2,1-3H3/t13-,14-,15-/m1/s1
SMILESC=C1CC[C@H](C(C)C)[C@H]2C=C(C)CC[C@H]12

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.58
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.55
NP-likeness3.09

Classification

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

Reported in GR-MAPs Plants

Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT
Chrysopogon zizanioides as “Chrysopogon zizanioides” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Rosmarinus officinalis as “Rosmarinus 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
Canabis Sativa as “Cannabis sativa” in COCONUT

References (217)

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  2. 10.1002/(SICI)1099-1026(199601)11:1<15::AID-FFJ541>3.0.CO;2-H
  3. 10.1002/(SICI)1099-1026(199701)12:1<47::AID-FFJ610>3.0.CO;2-7
  4. 10.1002/(sici)1099-1026(199707)12:4<277::aid-ffj642>3.0.co;2-b
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  25. 10.1007/BF00567053
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  37. 10.1016/0031-9422(82)80025-3
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  39. 10.1016/0031-9422(83)85029-8
  40. 10.1016/0031-9422(83)85052-3

Showing 40 of 217. 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.