Caviunin
ID: ALA1945735
Chembl Id: CHEMBL1945735
PubChem CID: 6708635
Max Phase: Preclinical
Molecular Formula: C19H18O8
Molecular Weight: 374.35
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Synonyms: Caviunin | Caviunin|5,7-Dihydroxy-6,2',4',5'-tetramethoxyisoflavone|KBio1_001324|SpecPlus_000284|DivK1c_006380|CHEMBL1945735|SCHEMBL13730355|5,7-dihydroxy-6-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one|LMPK12050423
Canonical SMILES: COc1cc(OC)c(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc1OC
Standard InChI: InChI=1S/C19H18O8/c1-23-12-7-14(25-3)13(24-2)5-9(12)10-8-27-15-6-11(20)19(26-4)18(22)16(15)17(10)21/h5-8,20,22H,1-4H3
Standard InChI Key: SHONUJDWRZAHCQ-UHFFFAOYSA-N
Alternative Forms
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Calculated Properties
| Molecular Weight: 374.35 | Molecular Weight (Monoisotopic): 374.1002 | AlogP: 2.91 | #Rotatable Bonds: 5 |
| Polar Surface Area: 107.59 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 7.07 | CX Basic pKa: ┄ | CX LogP: 2.75 | CX LogD: 2.24 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.70 | Np Likeness Score: 1.27 |
References
| 1. Dixit P, Chillara R, Khedgikar V, Gautam J, Kushwaha P, Kumar A, Singh D, Trivedi R, Maurya R.. (2012) Constituents of Dalbergia sissoo Roxb. leaves with osteogenic activity., 22 (2): [PMID:22212722] [10.1016/j.bmcl.2011.12.036] |
Source
Source(1):