Kopsidine B
AlkaPlorer ID: AK191451
Synonym: ''
IUPAC Name: dimethyl (1S,2R,6R,14S,15R,16R,18S,20S)-20-ethoxy-15-hydroxy-11-methoxy-17-oxa-3,13-diazaheptacyclo[12.6.2.01,16.02,6.03,18.06,14.07,12]docosa-7(12),8,10-triene-13,15-dicarboxylate
Structure
SMILES: CCO[C@H]1C[C@@H]2O[C@@H]3[C@]14CC[C@@]1(N(C(=O)OC)C5=C(OC)C=CC=C5[C@@]15CCN2[C@@H]45)[C@]3(O)C(=O)OC
InChI: InChI=1S/C26H32N2O8/c1-5-35-16-13-17-27-12-11-24-14-7-6-8-15(32-2)18(14)28(22(30)34-4)25(24)10-9-23(16,19(24)27)20(36-17)26(25,31)21(29)33-3/h6-8,16-17,19-20,31H,5,9-13H2,1-4H3/t16-,17-,19-,20+,23+,24+,25-,26+/m0/s1
InChIKey: QCOQYIWZQONYHM-KETPNPIJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 500.5480000000003
TPSA？: 107.0
MolLogP？: 1.5640999999999998
Number of H-Donors: 1
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 |