| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4439189
Max Phase: Preclinical
Molecular Formula: C18H12O7
Molecular Weight: 340.29
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc2c(c3c1C(=O)Oc1c(C)c4c(c(O)c1O3)C(=O)OC4)CO2
Standard InChI: InChI=1S/C18H12O7/c1-6-3-10-9(5-22-10)15-11(6)18(21)25-14-7(2)8-4-23-17(20)12(8)13(19)16(14)24-15/h3,19H,4-5H2,1-2H3
Standard InChI Key: HIBCVFMAAXAQGB-UHFFFAOYSA-N
Associated Targets(Human)
NCI-H446 443 Activities
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: 340.29 | Molecular Weight (Monoisotopic): 340.0583 | AlogP: 2.90 | #Rotatable Bonds: 0 |
| Polar Surface Area: 91.29 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.64 | CX Basic pKa: | CX LogP: 3.48 | CX LogD: 3.46 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.58 | Np Likeness Score: 1.34 |
References
| 1. Li SJ, Zhang X, Wang XH, Zhao CQ.. (2018) Novel natural compounds from endophytic fungi with anticancer activity., 156 [PMID:30015071] [10.1016/j.ejmech.2018.07.015] |
Source
Source(1):