Sayanedine
precursor
Showing entry for Sayanedine
Identification
- PhytoHub ID
- PHUB000232
- Name
- Sayanedine
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 298.294
- Monoisotopic Mass
- 298.084123551
- Chemical Formula
- C17H14O5
- IUPAC Name
- sayanedine
- InChI Key
- JSDXTLJPMLRQOB-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C17H14O5/c1-20-11-4-5-12-15(8-11)22-9-13(17(12)19)10-3-6-14(18)16(7-10)21-2/h3-9,18H,1-2H3
- SMILES
COC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=C(O)C(OC)=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 3.19e-02 g/l
- LogS (ALOGPS)
- -3.97
- LogP (ALOGPS)
- 3.47
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 3
- Polar Surface Area
- 64.99000000000001
- Refractivity
- 80.64750000000001
- Polarizability
- 30.834655925562977
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.502711415347027
- pKa (strongest acidic)
- 9.443992428443641
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 9045
- PubChem
- 442820
- Chemistry Dashboard
- DTXSID40331961
- KNApSAcK
- C00002571
- FooDB (Compounds)
- FDB002641
Taxonomy as Precursor
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Isoflavones
Spectra
No spectra information available
Food Sources
No food source information available
Metabolism
No metabolism information available
Inter-Individual Variations Metabolism
No inter-individual variations available