beta-Costol
PubChem CID: 12304104
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| Compound Synonyms | beta-Costol, Sesquibenihiol, b-Costol, .beta.-Costol, (+)-Costol, CHEBI:195975, FKWGZOFNSIESOX-UHFFFAOYSA-N, AAA51520, Eudesma-4(14),11(13)-dien-12-ol, Q67879720, 2-((2R,4aR,8aS)-4a-Methyl-8-methylenedecahydronaphthalen-2-yl)prop-2-en-1-ol, 2-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol, 2-Naphthaleneethanol, decahydro-4a-methyl-.beta.,8-bis(methylene)-, (2R,4aR,8aS)-, 2-Naphthaleneethanol, decahydro-4a-methyl-.beta.,8-bis(methylene)-, [2R-(2.alpha.,4a.alpha.,8a.beta.)]- |
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| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Description | Constituent of the essential oil of costus ( Saussurea lappa). beta-Costol is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 305.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 4.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | FKWGZOFNSIESOX-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.71 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.524 |
| Synonyms | b-Costol, Sesquibenihiol, Β-costol |
| Compound Name | beta-Costol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -3.7139072 |
| Inchi | InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h13-14,16H,1-2,4-10H2,3H3 |
| Smiles | CC12CCCC(=C)C1CC(CC2)C(=C)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all