gamma-Curcumene
PubChem CID: 12304273
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| Compound Synonyms | gamma-Curcumene, 28976-68-3, T89VH793AF, UNII-T89VH793AF, CHEBI:63696, .gamma.-Curcumene, 1,3-Cyclohexadiene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, (R)-, 1-((1R)-1,5-Dimethyl-4-hexen-1-yl)-4-methyl-1,3-cyclohexadiene, 1,3-Cyclohexadiene, 1-((1R)-1,5-dimethyl-4-hexen-1-yl)-4-methyl-, 2-Heptene, 2-methyl-6-(4-methyl-1,3-cyclohexadien-1-yl)-, (R)-(-)-, 1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene, 1-methyl-4-((2R)-6-methylhept-5-en-2-yl)cyclohexa-1,3-diene, I(3)-Curcumene, NGIVKZGKEPRIGG-CQSZACIVSA-N, DTXSID901318194, C20179, Q27132733, (R)-1-Methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene |
|---|---|
| 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 | C1CCCCC1 |
| Np Classifier Class | Bisabolane sesquiterpenoids |
| Deep Smiles | CC=CCC[C@H]C=CC=CCC6))C)))))C)))))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 285.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | C1=CCCC=C1 |
| Inchi Key | NGIVKZGKEPRIGG-CQSZACIVSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | gamma-curcumene, y-curcumene, γ- curcumene, γ-curcumene |
| Esol Class | Moderately soluble |
| Functional Groups | CC1=CC=C(C)CC1, CC=C(C)C |
| Compound Name | gamma-Curcumene |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14H,5,7,9,11H2,1-4H3/t14-/m1/s1 |
| Smiles | CC1=CC=C(CC1)[C@H](C)CCC=C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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