| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4639629
Max Phase: Preclinical
Molecular Formula: C19H30O2
Molecular Weight: 290.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@@]12CCO[C@@H]1C1=CC[C@@H]3[C@](C)(CCC[C@@]3(C)O)[C@H]1CC2
Standard InChI: InChI=1S/C19H30O2/c1-17-10-7-14-13(16(17)21-12-11-17)5-6-15-18(14,2)8-4-9-19(15,3)20/h5,14-16,20H,4,6-12H2,1-3H3/t14-,15+,16+,17+,18+,19+/m0/s1
Standard InChI Key: FWTKVIBNWCLLSZ-DOQFWFFUSA-N
Associated Targets(non-human)
B-cell line 200 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: 290.45 | Molecular Weight (Monoisotopic): 290.2246 | AlogP: 4.08 | #Rotatable Bonds: 0 |
| Polar Surface Area: 29.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.21 | CX LogD: 3.21 |
| Aromatic Rings: 0 | Heavy Atoms: 21 | QED Weighted: 0.68 | Np Likeness Score: 2.69 |
References
| 1. Chen HP, Zhao ZZ, Cheng GG, Zhao K, Han KY, Zhou L, Feng T, Li ZH, Liu JK.. (2020) Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus Xylaria longipes HFG1018., 83 (2): [PMID:31961677] [10.1021/acs.jnatprod.9b00889] |
Source
Source(1):