Kopsimaline C
AlkaPlorer ID: AK041974
Synonym: None
IUPAC Name: dimethyl (1R,2R,4S,9R,17S,18R,19R,22R)-14,18,19-trihydroxy-13-methoxy-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10(15),11,13-triene-16,18-dicarboxylate
Structure
SMILES: COC(=O)N1C2=C(O)C(OC)=CC=C2[C@@]23CCN4C[C@@H]5O[C@@H]5[C@]5(CC[C@]12[C@](O)(C(=O)OC)[C@@H]5O)[C@H]43
InChI: InChI=1S/C24H28N2O9/c1-32-12-5-4-11-14(15(12)27)26(20(30)34-3)23-7-6-21(18(28)24(23,31)19(29)33-2)16-13(35-16)10-25-9-8-22(11,23)17(21)25/h4-5,13,16-18,27-28,31H,6-10H2,1-3H3/t13-,16-,17-,18+,21+,22+,23-,24+/m0/s1
InChIKey: GXDHEFQHGXMJAL-JXFMMCSMSA-N
Reference
Biologically Active Aspidofractinine Alkaloids from <i>Kopsia singapurensis</i>
PubChem CID: 24770357
LOTUS: LTS0194695
NPASS: NPC477395
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia singapurensis | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 488.4930000000003
TPSA？: 141.53
MolLogP？: -0.1220999999999995
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 18.2 | ug.mL-1 | 10.1021/np070401t |
| None | NON-PROTEIN TARGET | IC50 | 25.0 | ug.mL-1 | 10.1021/np070401t |