| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
UDALACTARANE A
ID: ALA2071320
Max Phase: Preclinical
Molecular Formula: C21H30O4
Molecular Weight: 346.47
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Udalactarane A
Synonyms from Alternative Forms(1):
Canonical SMILES: CCC(C)CCOC1OC(=O)[C@]23C[C@@H]4CC(C)(C)CC4=C(C=O)[C@]12C3
Standard InChI: InChI=1S/C21H30O4/c1-5-13(2)6-7-24-18-21-12-20(21,17(23)25-18)9-14-8-19(3,4)10-15(14)16(21)11-22/h11,13-14,18H,5-10,12H2,1-4H3/t13?,14-,18?,20+,21+/m0/s1
Standard InChI Key: CERWTWXWRVGAAK-PBGUIJGPSA-N
Associated Targets(Human)
Jurkat 10389 Activities
HepG2 196354 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Fusarium graminearum 1554 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Pyricularia grisea 1253 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Phytophthora infestans 820 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Botrytis cinerea 4183 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 346.47 | Molecular Weight (Monoisotopic): 346.2144 | AlogP: 4.03 | #Rotatable Bonds: 6 |
| Polar Surface Area: 52.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.86 | CX LogD: 3.86 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.54 | Np Likeness Score: 2.64 |
References
| 1. Schüffler A, Wollinsky B, Anke T, Liermann JC, Opatz T.. (2012) Isolactarane and sterpurane sesquiterpenoids from the basidiomycete Phlebia uda., 75 (7): [PMID:22746380] [10.1021/np3000552] |
Source
Source(1):