ID: ALA478781
Chembl Id: CHEMBL478781
Cas Number: 70546-63-3
PubChem CID: 155517
Max Phase: Preclinical
Molecular Formula: C15H20O
Molecular Weight: 216.32
Molecule Type: Small molecule
Associated Items:
Synonyms: Furodysinin | Furodysinin|70546-63-3|Naphtho(2,3-b)furan, 4,4a,5,6,8a,9-hexahydro-4,4,7-trimethyl-, (4aS,8aR)-|CHEMBL478781|SCHEMBL10408373|DTXSID80990753|4,4,7-Trimethyl-4,4a,5,6,8a,9-hexahydronaphtho[2,3-b]furan
Canonical SMILES: CC1=C[C@H]2Cc3occc3C(C)(C)[C@H]2CC1
Standard InChI: InChI=1S/C15H20O/c1-10-4-5-12-11(8-10)9-14-13(6-7-16-14)15(12,2)3/h6-8,11-12H,4-5,9H2,1-3H3/t11-,12-/m0/s1
Standard InChI Key: OSSOIKJYWQAIQR-RYUDHWBXSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 216.32 | Molecular Weight (Monoisotopic): 216.1514 | AlogP: 4.09 | #Rotatable Bonds: ┄ |
| Polar Surface Area: 13.14 | Molecular Species: NEUTRAL | HBA: 1 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 1 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.80 | CX LogD: 3.80 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.60 | Np Likeness Score: 2.94 |
| 1. Potts BC, Faulkner DJ, Jacobs RS.. (1992) Phospholipase A2 inhibitors from marine organisms., 55 (12): [PMID:1294693] [10.1021/np50090a001] |
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