| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TETRAHYMANOL
ID: ALA485801
Max Phase: Preclinical
Molecular Formula: C30H52O
Molecular Weight: 428.75
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Tetrahymanol
Synonyms from Alternative Forms(1):
Canonical SMILES: CC1(C)CCC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Standard InChI: InChI=1S/C30H52O/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)26(3,4)21(28)13-19-30(23,29)8/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1
Standard InChI Key: BFNSRKHIVITRJP-VJBYBJRLSA-N
Associated Targets(non-human)
Phytophthora cactorum 113 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: 428.75 | Molecular Weight (Monoisotopic): 428.4018 | AlogP: 8.25 | #Rotatable Bonds: 0 |
| 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: 7.81 | CX LogD: 7.81 |
| Aromatic Rings: 0 | Heavy Atoms: 31 | QED Weighted: 0.41 | Np Likeness Score: 2.21 |
References
| 1. Nes WD, Patterson GW. (1981) Effects of Tetracyclic and Pentacyclic Triterpenoids on Growth of Phytophthora cactorum, 44 (2): [10.1021/np50014a012] |
Source
Source(1):