Carnosol
precursor
Showing entry for Carnosol
Identification
- PhytoHub ID
- PHUB000008
- Name
- Carnosol
- Systematic Name
- Not Available
- Synonyms
- Picrosalvin
- CAS Number
- Not Available
- Average Mass
- 330.424
- Monoisotopic Mass
- 330.183109317
- Chemical Formula
- C20H26O4
- IUPAC Name
- (1R,8S,10S)-3,4-dihydroxy-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-trien-15-one
- InChI Key
- XUSYGBPHQBWGAD-PJSUUKDQSA-N
- InChI Identifier
InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
- SMILES
CC(C)C1=CC2=C(C(O)=C1O)[[email protected]@]13CCCC(C)(C)[[email protected]@H]1C[[email protected]@H]2OC3=O
- Structure
Structure for Carnosol
Calculated Properties
- Solubility (ALOGPS)
- 3.95e-02 g/l
- LogS (ALOGPS)
- -3.92
- LogP (ALOGPS)
- 4.35
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 66.75999999999999
- Refractivity
- 91.42909999999998
- Polarizability
- 36.447805099017316
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -6.051906167096007
- pKa (strongest acidic)
- 9.18507529801697
- Number of Rings
- 4
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Precursor
- Family
- Terpenoids
- Class
- Diterpenoids
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Terpene lactones
- Direct Parent Name
- Diterpene lactones
- Alternative Parent Names
- ["1-hydroxy-4-unsubstituted benzenoids", "2-benzopyrans", "Carbonyl compounds", "Carboxylic acid esters", "Delta valerolactones", "Diterpenoids", "Hydrocarbon derivatives", "Monocarboxylic acids and derivatives", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Phenanthrenes and derivatives", "Tetralins"]
- External Descriptor Annotations
- ["Abietanes", "diterpenoid"]
- Substituent Names
- ["1-hydroxy-4-unsubstituted benzenoid", "2-benzopyran", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Carbonyl group", "Carboxylic acid derivative", "Carboxylic acid ester", "Delta valerolactone", "Delta_valerolactone", "Diterpene lactone", "Diterpenoid", "Hydrocarbon derivative", "Isochromane", "Lactone", "Monocarboxylic acid or derivatives", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Phenanthrene", "Tetralin"]
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Basil | Herbs and Spices | Publications | Show | |
| Common oregano | Herbs and Spices | Publications | Show | |
| Common sage | Herbs and Spices | Publications | Show | |
| Common thyme | Herbs and Spices | Publications | Show | |
| Rosemary | Herbs and Spices | Publications | Show | |
| Rosemary tea | Teas and herbal teas | Publications | Show | |
| White sage (Salvia apiana) | Herbs and Spices | Publications | Show |
Food Sources of its Precursor(s)
No food source information available of its precursor(s)
Metabolism
No metabolism information available
Inter-Individual Variations Metabolism
No inter-individual variations available