Discorhabdin R
AlkaPlorer ID: AK030235
Synonym: '(+)-Discorhabdin R'
IUPAC Name: (1R,14S,19S,21S)-11-hydroxy-20-oxa-15-thia-4,9,13-triazaheptacyclo[12.7.1.13,7.01,16.02,12.019,21.010,23]tricosa-2(12),3,7(23),8,10,16-hexaen-18-one
Structure
SMILES: O=C1C2=C(C3=NCCC4=CNC1=C34)[C@@]13C[C@@H](N2)SC1=CC(=O)[C@H]1O[C@H]13
InChI: InChI=1S/C18H13N3O3S/c22-7-3-8-18(17-16(7)24-17)4-9(25-8)21-14-11(18)12-10-6(1-2-19-12)5-20-13(10)15(14)23/h3,5,9,16-17,20-21H,1-2,4H2/t9-,16+,17+,18+/m0/s1
InChIKey: UERBAKBEVFJVRL-UBHOCCDRSA-N
Reference
Discorhabdins I and L, Cytotoxic Alkaloids from the Sponge <i>Latrunculia </i><i>b</i><i>revis</i>
LOTUS: LTS0127688
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Latrunculia brevis | Latrunculia | Latrunculiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 351.3870000000001
TPSA？: 86.85
MolLogP？: 1.0968999999999998
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|