Clivatine
AlkaPlorer ID: AK009333
Synonym: '', 'Nobilisitine B'
IUPAC Name: [(2S,3R,7R,9S,10R)-4-methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-9-yl] 3-hydroxybutanoate
Structure
SMILES: CC(O)CC(=O)O[C@H]1C[C@H]2CCN(C)[C@H]2[C@@H]2C3=CC4=C(C=C3C(=O)O[C@H]21)OCO4
InChI: InChI=1S/C21H25NO7/c1-10(23)5-17(24)28-16-6-11-3-4-22(2)19(11)18-12-7-14-15(27-9-26-14)8-13(12)21(25)29-20(16)18/h7-8,10-11,16,18-20,23H,3-6,9H2,1-2H3/t10?,11-,16+,18+,19-,20+/m1/s1
InChIKey: QYVZOJWDWWFSQK-CXDJBGJCSA-N
Reference
Nobilisitine a and B, two masanane-type alkaloids from Clivia nobilisfn1
PubChem CID: 3083698
CAS: 1355-66-4
LOTUS: LTS0033625
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clivia miniata | Clivia | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 403.4310000000002
TPSA？: 94.53000000000002
MolLogP？: 1.4445999999999994
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/np9008255 |
| Homo sapiens | SK-MEL | IC50 | 10000.0 | nM | 10.1021/np9008255 |
| Mus musculus | B16-F10 | IC50 | 10000.0 | nM | 10.1021/np9008255 |
| None | NON-PROTEIN TARGET | IC50 | 10000.0 | nM | 10.1021/np9008255 |