Phaitanthrin D
AlkaPlorer ID: AK046130
Synonym: None
IUPAC Name: (1S,5R)-3-oxa-12,20-diazapentacyclo[10.8.0.01,5.06,11.014,19]icosa-6,8,10,14,16,18-hexaene-4,13-dione
Structure
SMILES: O=C1OC[C@@]23NC4=CC=CC=C4C(=O)N2C2=CC=CC=C2[C@@H]13
InChI: InChI=1S/C17H12N2O3/c20-15-10-5-1-3-7-12(10)18-17-9-22-16(21)14(17)11-6-2-4-8-13(11)19(15)17/h1-8,14,18H,9H2/t14-,17+/m0/s1
InChIKey: YVTWVVANWZQLQY-WMLDXEAASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaius mishmensis | Phaius | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 292.29400000000004
TPSA？: 58.64
MolLogP？: 2.1092000000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MCF7 | IC50 | 50000.0 | nM | 10.1021/np800064w |
| Homo sapiens | NCI-H460 | IC50 | 50000.0 | nM | 10.1021/np800064w |
| Homo sapiens | SF-268 | IC50 | 50000.0 | nM | 10.1021/np800064w |