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(-)-gamma-Cadinene

PubChem CID: 92313

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Compound Synonyms (-)-gamma-cadinene, GAMMA-CADINENE, 1460-97-5, gamma-Cadinene, (-)-, 2GHT32E0JU, 39029-41-9, CHEBI:63203, .GAMMA.-CADINENE, (-)-, (1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene, CADINENE, .GAMMA.-, (-)-, (1R,4aS,8aS)-7-methyl-4-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene, 1BETA,6ALPHA,7BETAH-CADINA-4,10(15)-DIENE, 1.BETA.,6.ALPHA.,7.BETA.H-CADINA-4,10(15)-DIENE, (R)-gamma-cadinene, (-)-?-Cadinene, UNII-2GHT32E0JU, g-Cadinene, D-g-Cadinene, (+)-g-Cadinene, Racemic gamma Cadinene, trans- .gamma.-Cadinene, WRHGORWNJGOVQY-RBSFLKMASA-N, DTXSID301017689, CADINENE, GAMMA-, (-)-, HY-N9432, DA-48774, CS-0167725, NS00126425, C19738, Q27132466, (-)-gamma-Cadinene, (-)-gamma-Cadinene, 1ss,6a,7ssH-Cadina-4,10(15)-diene (8CI), Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, [1R-(1a,4ass,8aa)]-, (1R,4aS,8aS)-1,2,3,4,4a,5,6,8a-Octahydro-7-methyl-4-methylene-1-(1-methylethyl)naphthalene, (-, [1R,(-)]-1,2,3,4,4aalpha,5,6,8abeta-Octahydro-7-methyl-4-methylene-1-isopropylnaphthalene, 1,2,3,4,4a,5,6,8a-Octahydro-7-methyl-4-methylene-1-(1-methylethyl)-(1S,4aR,8aR)-Naphthalene, Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1alpha,4abeta,8aalpha)-
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCCC2CCCCC12
Np Classifier Class Cadinane sesquiterpenoids
Deep Smiles CC=C[C@H][C@H]CC6))C=C)CC[C@@H]6CC)C
Heavy Atom Count 15.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level CC1CCCC2CCCCC12
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 282.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.3
Superclass Lipids and lipid-like molecules
Subclass Sesquiterpenoids
Gsk 4 400 Rule False
Molecular Formula C15H24
Scaffold Graph Node Bond Level C=C1CCCC2C=CCCC12
Prediction Swissadme 0.0
Inchi Key WRHGORWNJGOVQY-RBSFLKMASA-N
Silicos It Class Soluble
Fcsp3 0.7333333333333333
Rotatable Bond Count 1.0
State Liquid
Synonyms g-Cadinene, Γ-cadinene, (-)-g-Cadinene, (-)-Γ-cadinene, gamma-Cadinene, (+)-gamma(1)-isomer, gamma-Cadinene, (-)-isomer, gamma-Cadinene, (+)-isomer, 1beta,6alpha,7BetaH-cadina-4,10(15)-diene, 1Β,6α,7βh-cadina-4,10(15)-diene, 1beta,6alpha,7ΒH-cadina-4,10(15)-diene, (-)-gamma-Cadinene, (±)-cadina-4,10(15)-diene, (±)-gamma-cadinene, (±)-γ-cadinene, gamma-Cardinene, Γ-cardinene, gamma-Cadinene, (-)-γ-cadinene
Esol Class Soluble
Functional Groups C=C(C)C, CC(C)=CC
Compound Name (-)-gamma-Cadinene
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 204.188
Formal Charge 0.0
Monoisotopic Mass 204.188
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 204.35
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homopolycyclic compounds
Lipinski Rule Of 5 True
Esol -3.7563133999999994
Inchi InChI=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
Smiles CC1=C[C@H]2[C@H](CC1)C(=C)CC[C@@H]2C(C)C
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Sesquiterpenoids
Np Classifier Superclass Sesquiterpenoids