Laxiracemosin F
AlkaPlorer ID: AK037669
Synonym: None
IUPAC Name: 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-pyrrole-2-carbaldehyde
Structure
SMILES: CC1(C)C2CC=C3[C@H](CC[C@@]4(C)[C@H](C5=CNC(C=O)=C5)CC[C@]34C)[C@@]2(C)CC[C@H]1O
InChI: InChI=1S/C27H39NO2/c1-24(2)22-7-6-21-20(25(22,3)11-10-23(24)30)9-13-26(4)19(8-12-27(21,26)5)17-14-18(16-29)28-15-17/h6,14-16,19-20,22-23,28,30H,7-13H2,1-5H3/t19-,20-,22?,23+,25+,26-,27+/m0/s1
InChIKey: OSIJEJSDZVRPGU-CYSXVTQASA-N
Reference
Tirucallane-Type Alkaloids from the Bark of <i>Dysoxylum laxiracemosum</i>
PubChem CID: 49864212
LOTUS: LTS0110658
NPASS: NPC477045
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysoxylum laxiracemosum | Dysoxylum | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 409.6140000000003
TPSA？: 53.09
MolLogP？: 6.260700000000007
Number of H-Donors: 2
Number of H-Acceptors: 2
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 | 15700.0 | nM | 10.1021/np100307f |
| Homo sapiens | MCF7 | IC50 | 20000.0 | nM | 10.1021/np100307f |
| Homo sapiens | SMMC-7721 | IC50 | 15600.0 | nM | 10.1021/np100307f |
| Homo sapiens | SW480 | IC50 | 20000.0 | nM | 10.1021/np100307f |