Laxiracemosin B
AlkaPlorer ID: AK157751
Synonym: None
IUPAC Name: (9R,10R,13S,14S,17R)-4,4,10,13,14-pentamethyl-17-[5-(2-methylpropanoyl)-1H-pyrrol-3-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Structure
SMILES: CC(C)C(=O)C1=CC([C@@H]2CC[C@]3(C)C4=CCC5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)=CN1
InChI: InChI=1S/C30H43NO2/c1-18(2)26(33)23-16-19(17-31-23)20-10-14-30(7)22-8-9-24-27(3,4)25(32)12-13-28(24,5)21(22)11-15-29(20,30)6/h8,16-18,20-21,24,31H,9-15H2,1-7H3/t20-,21-,24?,28+,29-,30+/m0/s1
InChIKey: NGBICDGUHNVMPO-UCRHFLBXSA-N
Reference
Tirucallane-Type Alkaloids from the Bark of <i>Dysoxylum laxiracemosum</i>
PubChem CID: 49864193
LOTUS: LTS0187188
NPASS: NPC477042
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysoxylum laxiracemosum | Dysoxylum | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 449.67900000000026
TPSA？: 49.93
MolLogP？: 7.495100000000009
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 13400.0 | nM | 10.1021/np100307f |
| Homo sapiens | HL-60 | IC50 | 12800.0 | nM | 10.1021/np100307f |
| Homo sapiens | MCF7 | IC50 | 20000.0 | nM | 10.1021/np100307f |
| Homo sapiens | SMMC-7721 | IC50 | 19000.0 | nM | 10.1021/np100307f |
| Homo sapiens | SW480 | IC50 | 20000.0 | nM | 10.1021/np100307f |