| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Erinacol
ID: ALA5275836
Chembl Id: CHEMBL5275836
Max Phase: Preclinical
Molecular Formula: C20H32O
Molecular Weight: 288.48
Associated Items:
Names and Identifiers
Canonical SMILES: CC1=C[C@H](O)[C@]2(C)CC[C@@]3(C)CCC(C(C)C)=C3[C@H]2CC1
Standard InChI: InChI=1S/C20H32O/c1-13(2)15-8-9-19(4)10-11-20(5)16(18(15)19)7-6-14(3)12-17(20)21/h12-13,16-17,21H,6-11H2,1-5H3/t16-,17+,19-,20-/m1/s1
Standard InChI Key: ZTGGPQBJLZKPHO-PIKOESSRSA-N
Alternative Forms
Associated Targets(non-human)
BV-2 (3710 Activities)
PC-12 (7051 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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 |
|---|
Calculated Properties
| Molecular Weight: 288.48 | Molecular Weight (Monoisotopic): 288.2453 | AlogP: 5.26 | #Rotatable Bonds: 1 |
| Polar Surface Area: 20.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.64 | CX LogD: 4.64 |
| Aromatic Rings: 0 | Heavy Atoms: 21 | QED Weighted: 0.65 | Np Likeness Score: 3.18 |
References
| 1. Tang D, Xu YZ, Wang WW, Yang Z, Liu B, Stadler M, Liu LL, Gao JM.. (2019) Cyathane Diterpenes from Cultures of the Bird's Nest Fungus Cyathus hookeri and Their Neurotrophic and Anti-neuroinflammatory Activities., 82 (6.0): [PMID:31244147] [10.1021/acs.jnatprod.9b00091] |
Source
Source(1):