Clausamine
AlkaPlorer ID: AK043013
Synonym: None
IUPAC Name: methyl 1-methoxy-4-(3-methylbut-2-enyl)-9H-carbazole-3-carboxylate
Structure
SMILES: COC(=O)C1=CC(OC)=C2NC3=CC=CC=C3C2=C1CC=C(C)C
InChI: InChI=1S/C20H21NO3/c1-12(2)9-10-13-15(20(22)24-4)11-17(23-3)19-18(13)14-7-5-6-8-16(14)21-19/h5-9,11,21H,10H2,1-4H3
InChIKey: YTUBOXOSIHCYQX-UHFFFAOYSA-N
Reference
New Carbazole Alkaloids from <i>Clausena anisata</i> with Antitumor Promoting Activity
PubChem CID: 10041876
CAS: 256222-00-1
LOTUS: LTS0113876
COCONUT: CNP0218707
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clausena anisata | Clausena | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 323.3920000000001
TPSA？: 51.32
MolLogP？: 4.625000000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | Activity | nan | None | 10.1021/np800735m |
| Homo sapiens | Raji | Activity | 60.0 | % | 10.1021/np990285x |
| Homo sapiens | Raji | Activity | 70.0 | % | 10.1021/np990285x |
| Homo sapiens | Raji | Activity | 80.0 | % | 10.1021/np990285x |
| None | Unchecked | Activity | 18.2 | % | 10.1021/np990285x |
| None | Unchecked | Activity | 34.2 | % | 10.1021/np990285x |
| None | Unchecked | Activity | 66.0 | % | 10.1021/np990285x |
| None | Unchecked | Activity | 92.3 | % | 10.1021/np990285x |