Discorhabdin I
AlkaPlorer ID: AK570725
Synonym: None
IUPAC Name: (1S)-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),8,10,16,19-heptaen-18-one
Structure
SMILES: O=C1C=C[C@@]23CC(NC4=C2C2=NCCC5=CNC(=C25)C4=O)SC3=C1
InChI: InChI=1S/C18H13N3O2S/c22-9-1-3-18-6-11(24-10(18)5-9)21-16-13(18)14-12-8(2-4-19-14)7-20-15(12)17(16)23/h1,3,5,7,11,20-21H,2,4,6H2/t11?,18-/m0/s1
InChIKey: XLFZHGPPKSMYOB-MCEAHNFKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Latrunculia apicalis | Latrunculia | Latrunculiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 335.38800000000003
TPSA？: 74.32
MolLogP？: 1.8857
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|