| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1907992
Max Phase: Preclinical
Molecular Formula: C10H16O
Molecular Weight: 152.24
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): (-) Carveol
Synonyms from Alternative Forms(1):
Canonical SMILES: C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1
Standard InChI: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1
Standard InChI Key: BAVONGHXFVOKBV-ZJUUUORDSA-N
Associated Targets(Human)
UDP-glucuronosyltransferase 1A4 288 Activities
UDP-glucuronosyltransferase 1-9 343 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: 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: 152.24 | Molecular Weight (Monoisotopic): 152.1201 | AlogP: 2.28 | #Rotatable Bonds: 1 |
| Polar Surface Area: 20.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.99 | CX LogD: 1.99 |
| Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.57 | Np Likeness Score: 2.97 |
References
| 1. Tukey RH, Strassburg CP.. (2000) Human UDP-glucuronosyltransferases: metabolism, expression, and disease., 40 (1): [PMID:10836148] [10.1146/annurev.pharmtox.40.1.581] |
Source
Source(1):