Sageone
precursor
Showing entry for Sageone
Identification
- PhytoHub ID
- PHUB002039
- Name
- Sageone
- Systematic Name
- Not Available
- Synonyms
- 4(1H)-phenanthrenone, 2,3,9,10-tetrahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)
- 5,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,9,10-hexahydrophenanthren-4-one
- 5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,9,10-tetrahydrophenanthren-4-one
- 5,6-dihydroxy-7-isopropyl-1,1-dimethyl-2,3,9,10-tetrahydrophenanthren-4-one
- CAS Number
- Not Available
- Average Mass
- 300.398
- Monoisotopic Mass
- 300.172544633
- Chemical Formula
- C19H24O3
- IUPAC Name
- 5,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,9,10-hexahydrophenanthren-4-one
- InChI Key
- NPQAMUFQEFLLCY-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C19H24O3/c1-10(2)12-9-11-5-6-13-16(15(11)18(22)17(12)21)14(20)7-8-19(13,3)4/h9-10,21-22H,5-8H2,1-4H3
- SMILES
CC(C)C1=C(O)C(O)=C2C(CCC3=C2C(=O)CCC3(C)C)=C1
- Structure
Structure for Sageone
Calculated Properties
- Solubility (ALOGPS)
- 2.70e-02 g/l
- LogS (ALOGPS)
- -4.05
- LogP (ALOGPS)
- 4.15
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 57.53
- Refractivity
- 88.49009999999997
- Polarizability
- 34.30664328700379
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.3162756502594535
- pKa (strongest acidic)
- 9.099790010086057
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 6481824
- FooDB (Compounds)
- FDB018088
- HMDB
- HMDB0038684
Taxonomy as Food Phytochemical
- 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
- Diterpenoids
- Direct Parent Name
- Diterpenoids
- Alternative Parent Names
- ["1-hydroxy-4-unsubstituted benzenoids", "Cyclohexenones", "Hydrocarbon derivatives", "Hydrophenanthrenes", "Naphthols and derivatives", "Organic oxides"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-hydroxy-4-unsubstituted benzenoid", "1-naphthol", "2-naphthol", "Abietane diterpenoid", "Aromatic homopolycyclic compound", "Benzenoid", "Carbonyl group", "Cyclohexenone", "Diterpenoid", "Hydrocarbon derivative", "Hydrophenanthrene", "Ketone", "Naphthalene", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Phenanthrene"]
Spectra from Phytohub
Food Sources
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available