(-)-alpha-Himachalene
PubChem CID: 11830551
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| Compound Synonyms | (-)-alpha-Himachalene, alpha-Himachalene, 3853-83-6, alpha-cis-Himachalene, alpha-Himachalene, (-)-, UNII-1DB5J66V5P, 1DB5J66V5P, CHEBI:49218, (-)-2,7(14)-himachaladiene, (4aS,9aR)-3,5,5-trimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene, 1H-Benzocycloheptene, 2,4a,5,6,7,8,9,9a-octahydro-3,5,5-trimethyl-9-methylene-, (4aS,9ar)-, 1H-Benzocycloheptene, 2,4a,5,6,7,8,9,9a-octahydro-3,5,5-trimethyl-9-methylene-, (4aS-cis)-, himachal-4,11-diene, (1R,6S)-alpha-himachalene, .ALPHA.-CIS-HIMACHALENE, CHEMBL3120652, DTXSID30191859, (-)-.ALPHA.-HIMACHALENE, .ALPHA.-HIMACHALENE, (-)-, LMPR0103480001, Q27121538, (4aS,9aR)-3,5,5-trimethyl-9-methylene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene, (4aS,9aR)-3,5,5-trimethyl-9-methylidene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene |
|---|---|
| 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 | CC1CCCCC2CCCCC12 |
| Np Classifier Class | Himachalane sesquiterpenoids |
| Deep Smiles | CC=C[C@H][C@@H]CC6))C=C)CCCC7C)C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCCCC2CCCCC12 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4aS,9aR)-3,5,5-trimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | C=C1CCCCC2C=CCCC12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZJSIKVDEOWWVEH-KBPBESRZSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7333333333333333 |
| Rotatable Bond Count | 0.0 |
| Synonyms | a-himachalene, alpha himachalene, alpha-himachalene, α-himachalene, α-himachalene oxide |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC(C)=CC |
| Compound Name | (-)-alpha-Himachalene |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.9168133999999997 |
| Inchi | InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3/t13-,14-/m0/s1 |
| Smiles | CC1=C[C@H]2[C@@H](CC1)C(=C)CCCC2(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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