UNPD145885
AlkaPlorer ID: AK092191
Synonym: None
IUPAC Name: None
Structure
SMILES: COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1C(=O)[C@H](O)[C@H]1[C@@H](C)/C(=C/C(=O)OCC[NH+](C)C)CC[C@@H]12
InChI: InChI=1S/C25H39NO6/c1-15-16(14-18(27)32-13-12-26(4)5)8-9-17-19(15)20(28)21(29)22-24(17,2)10-7-11-25(22,3)23(30)31-6/h14-15,17,19-20,22,28H,7-13H2,1-6H3/p+1/b16-14+/t15-,17-,19-,20+,22+,24+,25-/m0/s1
InChIKey: ARSSWIWXJFPAGJ-DRHOSNRCSA-O
Reference
NPASS: NPC149075
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythrophleum guineense | Erythrophleum | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 450.59600000000034
TPSA？: 94.34000000000002
MolLogP？: 1.1921000000000015
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1016/j.bmcl.2017.05.006 |
| Homo sapiens | NCI-H1299 | IC50 | 10000.0 | nM | 10.1016/j.bmcl.2017.05.006 |
| Homo sapiens | NCI-H1975 | IC50 | 10000.0 | nM | 10.1016/j.bmcl.2017.05.006 |