| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4434846
Max Phase: Preclinical
Molecular Formula: C17H16O6
Molecular Weight: 316.31
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1c(O)cc(O)c2c1OC[C@@H](Cc1ccc(O)cc1)C2=O
Standard InChI: InChI=1S/C17H16O6/c1-22-16-13(20)7-12(19)14-15(21)10(8-23-17(14)16)6-9-2-4-11(18)5-3-9/h2-5,7,10,18-20H,6,8H2,1H3/t10-/m1/s1
Standard InChI Key: ZAZTVPBMNCLNOB-SNVBAGLBSA-N
Associated Targets(Human)
HUVEC (11049 Activities)
Y79 (258 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ARPE-19 (321 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 316.31 | Molecular Weight (Monoisotopic): 316.0947 | AlogP: 2.25 | #Rotatable Bonds: 3 |
| Polar Surface Area: 96.22 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.35 | CX Basic pKa: | CX LogP: 3.01 | CX LogD: 2.97 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.80 | Np Likeness Score: 1.91 |
References
| 1. Schwikkard S, Whitmore H, Sishtla K, Sulaiman RS, Shetty T, Basavarajappa HD, Waller C, Alqahtani A, Frankemoelle L, Chapman A, Crouch N, Wetschnig W, Knirsch W, Andriantiana J, Mas-Claret E, Langat MK, Mulholland D, Corson TW.. (2019) The Antiangiogenic Activity of Naturally Occurring and Synthetic Homoisoflavonoids from the Hyacinthaceae ( sensu APGII)., 82 (5): [PMID:30951308] [10.1021/acs.jnatprod.8b00989] |
Source
Source(1):