| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA517702
Max Phase: Preclinical
Molecular Formula: C15H24O4
Molecular Weight: 268.35
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): 7-Hydroxydeacetylbotryenalol
Synonyms from Alternative Forms(1):
Canonical SMILES: C[C@@H]1C[C@H](O)[C@@H]2C(=C1C=O)[C@@](C)(CO)[C@H](O)C2(C)C
Standard InChI: InChI=1S/C15H24O4/c1-8-5-10(18)12-11(9(8)6-16)15(4,7-17)13(19)14(12,2)3/h6,8,10,12-13,17-19H,5,7H2,1-4H3/t8-,10+,12-,13-,15-/m1/s1
Standard InChI Key: HFLYKFYHNXRCFY-ZAFNGOSVSA-N
Associated Targets(non-human)
[Chlorella] fusca 158 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 268.35 | Molecular Weight (Monoisotopic): 268.1675 | AlogP: 0.90 | #Rotatable Bonds: 2 |
| Polar Surface Area: 77.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -0.11 | CX LogD: -0.11 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.65 | Np Likeness Score: 2.96 |
References
| 1. Krohn K, Dai J, Flörke U, Aust HJ, Dräger S, Schulz B.. (2005) Botryane metabolites from the fungus Geniculosporium sp. isolated from the marine red alga Polysiphonia., 68 (3): [PMID:15787444] [10.1021/np0498206] |
Source
Source(1):