CID 11724499
AlkaPlorer ID: AK572588
Synonym: None
IUPAC Name: (1R,14S,19S)-11-hydroxy-15-thia-4,9,13-triazaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2,7(22),8,10,12,16-hexaen-18-one
Structure
SMILES: O=C1C2=N[C@@H]3C[C@@]45C[C@@H](C(=O)C=C4S3)N3CCC4=CNC1=C4C3=C25
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/h3,6,8,11,19H,1-2,4-5H2/t8-,11-,18-/m0/s1
InChIKey: XPQKXHQWGMXAQU-XYVASLDOSA-N
Reference
Discorhabdins I and L, Cytotoxic Alkaloids from the Sponge <i>Latrunculia </i><i>b</i><i>revis</i>
LOTUS: LTS0208139
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Latrunculia brevis | Latrunculia | Latrunculiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 335.3880000000001
TPSA？: 65.53
MolLogP？: 1.9231
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|