gamma-Bisabolene, (Z)-
PubChem CID: 3033866
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| Compound Synonyms | (Z)-gamma-bisabolene, gamma-Bisabolene, Bisabolene, cis-gamma-Bisabolene, 13062-00-5, Limene, gamma-Bisabolene, (Z)-, gamma-Bisabolene, (4Z)-, 495-62-5, UNII-E452K502K0, (Z)-.gamma.-Bisabolene, 4-(1,5-Dimethyl-4-hexenylidene)-1-methylcyclohexene, E452K502K0, Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-, (4Z)-, Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-, (Z)-, 2-Heptene, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-, (Z)-, Cyclohexene, 4-(1,5-dimethyl-4-hexen-1-ylidene)-1-methyl-, (4Z)-, cis-.gamma.-Bisabolene, (4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene, CHEBI:49238, 1-Methyl-4-(1,5-dimethyl-4-hexenylidene)-1-cyclohexene, 2-Methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-2-heptene, (1Z)-bisabola-1(10),4,7(11)-triene, CYCLOHEXENE, 4-(1,5-DIMETHYL-4-HEXENYLIDENE)-1-METHYL-, (4Z)-1-Methyl-4-(6-methyl-5-hepten-2-ylidene)cyclohexene, (4Z)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene, (Z)-1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene, (1Z)-bisabola-1(10),4,7(11)-triene (4Z)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene, Bisabolene (natural), gamma-Bisabolen, FEMA No. 3331, EINECS 207-805-8, (Z) gamma-bisabolene, 1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene, 4-(1,5-Dimethyl-4-hexen-1-ylidene)-1-methylcyclohexene, UNII-E6941S3U3Q, CHEBI:49237, 2-Heptene, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-, DTXSID901037003, E6941S3U3Q, .GAMMA.-BISABOLENE, (Z)-, .GAMMA.-BISABOLENE, (4Z)-, bisabola-1(10),4,7(11)-triene, AKOS024287123, LMPR0103060004, B1413, NS00012017, Q4039091, 4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene, Cyclohexene, 4-(1,5-dimethyl-4-hexen-1-ylidene)-1-methyl- |
|---|---|
| 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 | CC1CCCCC1 |
| Np Classifier Class | Bisabolane sesquiterpenoids |
| Deep Smiles | CC=CCC/C=C/CCC=CC/6))C)))))/C)))))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCCCC1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 296.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene |
| Prediction Hob | 1.0 |
| 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 | C=C1CC=CCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XBGUIVFBMBVUEG-CCEZHUSRSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6 |
| Logs | -5.106 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.27 |
| Synonyms | (-bisabolene, (2)-γ-bisabolene, (z )-γ-bisabolene, (z)- γ -bisabolene, (z)-g-bisabolene, (z)-gamma-bisabolene, (z)-γ-bisabolene, bisabolene, bisaboline, gamma-bisabolene, z-γ-bisabolene, γ-bisabolene, –bisabolene |
| Esol Class | Moderately soluble |
| Functional Groups | C/C(C)=C(/C)C, CC=C(C)C |
| Compound Name | gamma-Bisabolene, (Z)- |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.896913399999999 |
| Inchi | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14+ |
| Smiles | CC1=CC/C(=C(/C)\CCC=C(C)C)/CC1 |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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