1-(3-hydroxy-3-methylpent-4-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
PubChem CID: 521332
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| Compound Synonyms | 1-(3-hydroxy-3-methylpent-4-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol, 318237-79-5, 1-(3-hydroxy-3-methylpent-4-en-1-yl)-2,5,5,8a-tetramethyl-decahydronaphthalen-2-ol, 1-(3-hydroxy-3-methylpent-4-en-1-yl)-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol, 1-Naphthalenepropanol, .alpha.-ethenyldecahydro-2-hydroxy-.alpha.,2,5,5,8a-pentamethyl-, [1R-[1.alpha.(R*),2.beta.,4a.beta.,8a.alpha.]]-, Oprea1_263856, SCHEMBL10525241, DTXSID20859436, 1-(3-Hydroxy-3-methyl-4-pentenyl)-2,5,5,8a-tetramethyldecahydro-2-naphthalenol #, CHEBI:189326, XVULBTBTFGYVRC-UHFFFAOYSA-N, BCP15537, BBL010643, STK020088, AKOS000670165, AKOS022060555, NCGC00384514-02, VS-02602, NS00013191, 1-(3-Hydroxy-3-methyl-4-pentenyl)-2,5,5,8a-tetramethyldecahydro-2-naphthalenol, 1-(3-Hydroxy-3-methyl-pent-4-enyl)-2,5,5,8a-tetramethyl-decahydro-naphthalen-2-ol, (1R,2R,8aS)-Decahydro-1-(3-hydroxy-3-methyl-4-pentenyl)-2,5,5,8a-tetramethyl-2-naphthol, Labd-14-ene-8,13-diol |
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| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of Salvia sclarea (clary sage). Sclareol is found in many foods, some of which are common thyme, herbs and spices, tea, and nutmeg. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3-hydroxy-3-methylpent-4-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 4.9 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C20H36O2 |
| Inchi Key | XVULBTBTFGYVRC-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | (13R)-Labd-14-ene-8,13-diol, labd-14-ene-8,13-diol, Labd-14-ene-8,13-diol, (13R)-, Sclareol, Labd-14-ene-8,13-diol, Labd-14-ene-8alpha, 13beta-diol, Sclareol oxide |
| Compound Name | 1-(3-hydroxy-3-methylpent-4-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| Kingdom | Organic compounds |
| Exact Mass | 308.272 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 308.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 308.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3 |
| Smiles | CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all