Discorhabdin D
AlkaPlorer ID: AK322506
Synonym: None
IUPAC Name: (1R,14S,19S)-11-hydroxy-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2(12),3,7(22),8,10,16-hexaen-18-one
Structure
SMILES: O=C1C2=C3C4=[N+](CCC5=CNC1=C45)[C@H]1C[C@@]34C[C@@H](N2)SC4=CC1=O
InChI: InChI=1S/C18H13N3O2S/c22-9-3-10-18-4-8(9)21-2-1-7-6-19-14-12(7)16(21)13(18)15(17(14)23)20-11(5-18)24-10/h3,6,8,11H,1-2,4-5H2,(H,19,20,23)/p+1/t8-,11-,18-/m0/s1
InChIKey: QYJUINXANIOBKV-XYVASLDOSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Latrunculia | Latrunculiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Hypomyces odoratus | Hypomyces | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Ageratina aromatica | Ageratina | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 336.3960000000001
TPSA？: 64.97
MolLogP？: 1.1142999999999998
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|