Discorhabdin A; (+)-form, Debromo
AlkaPlorer ID: AK296851
Synonym: Debromodiscorhabdin A
IUPAC Name: 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=C1C=CC23CC(NC4=C2C2=NCCC5=CNC(=C25)C4=O)SC3C1
InChI: InChI=1S/C18H15N3O2S/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/h1,3,7,10-11,20-21H,2,4-6H2
InChIKey: UIEZBUHEBCJAMR-UHFFFAOYSA-N
Reference
Discorhabdins I and L, Cytotoxic Alkaloids from the Sponge <i>Latrunculia </i><i>b</i><i>revis</i>
LOTUS: LTS0140351
COCONUT: CNP0418913.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Higginsia | Stelligeridae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Higginsia | Stelligeridae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 337.40400000000005
TPSA？: 74.32
MolLogP？: 1.7605
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|