| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3098969
Max Phase: Preclinical
Molecular Formula: C36H60O8
Molecular Weight: 620.87
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)=C[C@H]1C[C@](C)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2CC[C@]3(C)[C@@H]2[C@@H](C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1
Standard InChI: InChI=1S/C36H60O8/c1-19(2)15-20-17-36(8,44-31-30(41)29(40)28(39)23(18-37)43-31)21-9-13-35(7)27(21)22(42-20)16-25-33(5)12-11-26(38)32(3,4)24(33)10-14-34(25,35)6/h15,20-31,37-41H,9-14,16-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1
Standard InChI Key: ZFJJTGYIYCRRJM-LOZVPELFSA-N
Associated Targets(non-human)
Splenocyte 1641 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: 620.87 | Molecular Weight (Monoisotopic): 620.4288 | AlogP: 4.34 | #Rotatable Bonds: 4 |
| Polar Surface Area: 128.84 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 5 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.21 | CX Basic pKa: | CX LogP: 3.62 | CX LogD: 3.62 |
| Aromatic Rings: 0 | Heavy Atoms: 44 | QED Weighted: 0.29 | Np Likeness Score: 2.78 |
References
| 1. Tran TL, Kim YR, Yang JL, Oh DR, Dao TT, Oh WK.. (2014) Dammarane triterpenes from the leaves of Panax ginseng enhance cellular immunity., 22 (1): [PMID:24290061] [10.1016/j.bmc.2013.11.002] |
Source
Source(1):