lahadinine A
AlkaPlorer ID: AK006204
Synonym: None
IUPAC Name: dimethyl (12R,21S,24S)-24-cyano-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9-triene-2,21-dicarboxylate
Structure
SMILES: COC(=O)[C@@]1(CC23CCCN4[C@@]2([C@@]5(C1(CC3)N(C6=C5C=CC7=C6OCO7)C(=O)OC)CC4)C#N)O
InChI: InChI=1S/C25H27N3O7/c1-32-19(29)23(31)12-21-6-3-10-27-11-9-22(25(21,27)13-26)15-4-5-16-18(35-14-34-16)17(15)28(20(30)33-2)24(22,23)8-7-21/h4-5,31H,3,6-12,14H2,1-2H3/t21?,22-,23+,24?,25-/m0/s1
InChIKey: OMNHQSXKYMYLGD-WXDMZPPNSA-N
Reference
Lahadinines A and B, new cyano-substituted indole alkaloids from Kopsia pauciflora
PubChem CID: 44326393
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia pauciflora | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 481.50500000000034
TPSA？: 121.56000000000002
MolLogP？: 1.8281799999999993
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Epidermoid carcinoma cell line | IC50 | 2.5 | ug.mL-1 | 10.1016/s0960-894x(98)00486-7 |