Discorhabdin A; (-)-form
AlkaPlorer ID: AK296849
Synonym: None
IUPAC Name: 19-bromo-11-hydroxy-15-thia-4,9,13-triazahexacyclo[12.6.1.13,7.01,16.02,12.010,22]docosa-2(12),3,7(22),8,10,19-hexaen-18-one
Structure
SMILES: O=C1CC2SC3CC2(C=C1Br)C1=C(N3)C(=O)C2=C3C1=NCCC3=CN2
InChI: InChI=1S/C18H14BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h4,6,10-11,21-22H,1-3,5H2
InChIKey: IMRWMDAHKYBDMQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Latrunculia brevis | Latrunculia | Latrunculiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 416.3000000000002
TPSA？: 74.32
MolLogP？: 2.4831000000000003
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|