11-Hydroxykopsilongine
AlkaPlorer ID: AK002691
Synonym: None
IUPAC Name: dimethyl (9R,18S,21S)-5,18-dihydroxy-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate
Structure
SMILES: COC1=C(C=CC2=C1N(C34[C@]25CCN6[C@H]5C(CCC6)(CC3)C[C@]4(C(=O)OC)O)C(=O)OC)O
InChI: InChI=1S/C24H30N2O7/c1-31-17-15(27)6-5-14-16(17)26(20(29)33-3)24-9-8-21(13-23(24,30)19(28)32-2)7-4-11-25-12-10-22(14,24)18(21)25/h5-6,18,27,30H,4,7-13H2,1-3H3/t18-,21?,22+,23+,24?/m0/s1
InChIKey: QMHWHFWJDPTIQE-MGWNKOEUSA-N
Reference
PubChem CID: 44326385
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 458.51100000000025
TPSA？: 108.77000000000001
MolLogP？: 1.9198999999999997
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Epidermoid carcinoma cell line | IC50 | 25.0 | ug.mL-1 | 10.1016/s0960-894x(98)00486-7 |