None
AlkaPlorer ID: AK318693
Synonym: None
IUPAC Name: dimethyl (1S,12S,21S)-21-hydroxy-14,24-dioxo-5,7-dioxa-2,15-diazahexacyclo[17.2.2.112,15.01,12.03,11.04,8]tetracosa-3(11),4(8),9,19(23)-tetraene-2,21-dicarboxylate
Structure
SMILES: COC(=O)N1C2=C3OCOC3=CC=C2[C@@]23CC(=O)N(CCCC4=CC[C@]12[C@](O)(C(=O)OC)C4)C3=O
InChI: InChI=1S/C24H24N2O9/c1-32-20(29)23(31)10-13-4-3-9-25-16(27)11-22(19(25)28)14-5-6-15-18(35-12-34-15)17(14)26(21(30)33-2)24(22,23)8-7-13/h5-7,31H,3-4,8-12H2,1-2H3/t22-,23-,24+/m1/s1
InChIKey: MLORGIUPXVSKEY-SMIHKQSGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia pauciflora | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 484.4610000000004
TPSA？: 131.91
MolLogP？: 1.1552999999999998
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 7
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 |