Paucidactine A
AlkaPlorer ID: AK004093
Synonym: None
IUPAC Name: methyl (1R,4S,15S,16R,19R,22R)-16,22-dihydroxy-18,21-dioxo-8,10,20-trioxa-5,17-diazaoctacyclo[15.6.3.01,16.04,15.04,22.06,14.07,11.015,19]hexacosa-6(14),7(11),12-triene-5-carboxylate
Structure
SMILES: COC(=O)N1C2=C(C=CC3=C2OCO3)[C@@]45[C@]16CC[C@]78[C@@]4(N(CCC7)C(=O)[C@@H]5OC(=O)[C@]6(C8)O)O
InChI: InChI=1S/C23H22N2O9/c1-31-18(28)25-13-11(3-4-12-14(13)33-10-32-12)22-15-16(26)24-8-2-5-19(23(22,24)30)6-7-21(22,25)20(29,9-19)17(27)34-15/h3-4,15,29-30H,2,5-10H2,1H3/t15-,19+,20-,21+,22+,23+/m0/s1
InChIKey: RYMOPHYYXOZPHR-CAWPOHQPSA-N
Reference
Paucidactine A and B, new indole alkaloids with a novel ring system containing a lactone moiety
PubChem CID: 73345269
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia pauciflora | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 470.4340000000003
TPSA？: 135.07000000000002
MolLogP？: 0.1433000000000001
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Epidermoid carcinoma cell line | IC50 | None | ug.mL-1 | 10.1016/s0960-894x(98)00486-7 |