Laxiracemosin D
AlkaPlorer ID: AK157761
Synonym: None
IUPAC Name: 2-hydroxy-1-[4-[(3R,9R,10R,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-1H-pyrrol-2-yl]-2-methylpropan-1-one
Structure
SMILES: CC(C)(O)C(=O)C1=CC([C@@H]2CC[C@]3(C)C4=CCC5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)=CN1
InChI: InChI=1S/C30H45NO3/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31-17-18)25(33)27(3,4)34/h8,16-17,19-20,23-24,31-32,34H,9-15H2,1-7H3/t19-,20-,23?,24+,28+,29-,30+/m0/s1
InChIKey: QASRQJJNGUVBCC-FUIGJAHYSA-N
Reference
Tirucallane-Type Alkaloids from the Bark of <i>Dysoxylum laxiracemosum</i>
PubChem CID: 49864194
LOTUS: LTS0065506
NPASS: NPC477043
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysoxylum laxiracemosum | Dysoxylum | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 467.6940000000003
TPSA？: 73.32
MolLogP？: 6.401800000000008
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 20000.0 | nM | 10.1021/np100307f |
| Homo sapiens | HL-60 | IC50 | 6800.0 | nM | 10.1021/np100307f |
| Homo sapiens | MCF7 | IC50 | 20000.0 | nM | 10.1021/np100307f |
| Homo sapiens | SMMC-7721 | IC50 | 20000.0 | nM | 10.1021/np100307f |
| Homo sapiens | SW480 | IC50 | 20000.0 | nM | 10.1021/np100307f |