Claurailas B
AlkaPlorer ID: AK055763
Synonym: None
IUPAC Name: 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-10-ol
Structure
SMILES: CC1=CC2=C(NC3=C(O)C=CC=C32)C2=C1OC(C)(C)C=C2
InChI: InChI=1S/C18H17NO2/c1-10-9-13-11-5-4-6-14(20)16(11)19-15(13)12-7-8-18(2,3)21-17(10)12/h4-9,19-20H,1-3H3
InChIKey: DOPPWRJNMKMWAZ-UHFFFAOYSA-N
Reference
Claurailas A−D, Cytotoxic Carbazole Alkaloids from the Roots of <i>Clausena harmandiana</i>
PubChem CID: 51039826
LOTUS: LTS0187519
COCONUT: CNP0104955
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clausena harmandiana | Clausena | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 279.339
TPSA？: 45.25
MolLogP？: 4.519320000000002
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | IC50 | 200000.0 | nM | 10.1021/np100654m |
| Homo sapiens | KB | IC50 | 200000.0 | nM | 10.1021/np100654m |
| Homo sapiens | NCI-H187 | IC50 | 200000.0 | nM | 10.1021/np100654m |