Molecule

(+)-dihydrodiscorhabdin A

AlkaPlorer ID: AK004037

Synonym: None

IUPAC Name: (1S,14S,16R,18S)-19-bromo-15-thia-4,9,13-triazahexacyclo[12.6.1.13,7.01,16.02,12.010,22]docosa-2,7(22),8,10,12,19-hexaene-11,18-diol

Structure

SMILES: C1CNC2=C3C(=N[C@@H]4C[C@]35C=C([C@H](C[C@H]5S4)O)Br)C(=C6C2=C1C=N6)O

InChI: InChI=1S/C18H16BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h4,6,9-11,20,23-24H,1-3,5H2/t9-,10+,11-,18-/m0/s1

InChIKey: JYKBMBXWWGEIRA-DPNGTGFASA-N

Reference

Discorhabdins Revisited: Cytotoxic Alkaloids from Southern Australian Marine Sponges of the Genera <i>Higginsia</i> and <i>Spongosorites</i>

PubChem CID: 135965954

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Spongosorites	Halichondriidae	Suberitida	Demospongiae	Porifera	Metazoa	Eukaryota
None	Higginsia	Stelligeridae	Axinellida	Demospongiae	Porifera	Metazoa	Eukaryota
None	Spongosorites	Halichondriidae	Suberitida	Demospongiae	Porifera	Metazoa	Eukaryota
None	Higginsia	Stelligeridae	Axinellida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 418.31600000000014

TPSA？: 77.21000000000001

MolLogP？: 1.8203999999999998

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi