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MAYOSIDE D
ID: ALA477329
Max Phase: Preclinical
Molecular Formula: C28H26O9
Molecular Weight: 506.51
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Mayoside D
Synonyms from Alternative Forms(1):
Canonical SMILES: Cc1cc(O)c2c(c1)[C@](O)(C[C@H]1OC[C@@H](OC(=O)c3ccccc3)[C@@H](O)[C@@H]1O)c1cccc(O)c1C2=O
Standard InChI: InChI=1S/C28H26O9/c1-14-10-17-23(19(30)11-14)26(33)22-16(8-5-9-18(22)29)28(17,35)12-20-24(31)25(32)21(13-36-20)37-27(34)15-6-3-2-4-7-15/h2-11,20-21,24-25,29-32,35H,12-13H2,1H3/t20-,21-,24-,25-,28+/m1/s1
Standard InChI Key: DHPCXWBWRWPXDU-JJUHLTJSSA-N
Associated Targets(Human)
Lu1 576 Activities
LNCaP 8286 Activities
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MCF7 126967 Activities
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HUVEC 11049 Activities
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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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Properties
| Molecular Weight: 506.51 | Molecular Weight (Monoisotopic): 506.1577 | AlogP: 1.92 | #Rotatable Bonds: 4 |
| Polar Surface Area: 153.75 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 5 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.31 | CX Basic pKa: | CX LogP: 3.97 | CX LogD: 3.92 |
| Aromatic Rings: 3 | Heavy Atoms: 37 | QED Weighted: 0.33 | Np Likeness Score: 1.46 |
References
| 1. Diaz F, Chai HB, Mi Q, Su BN, Vigo JS, Graham JG, Cabieses F, Farnsworth NR, Cordell GA, Pezzuto JM, Swanson SM, Kinghorn AD.. (2004) Anthrone and oxanthrone C-glycosides from Picramnia latifolia collected in Peru., 67 (3): [PMID:15043409] [10.1021/np030479j] |
Source
Source(1):