Dragmacidin A; 7'-Bromo, 4'-hydroxy

AlkaPlorer ID: AK297066

Synonym: Dragmacidin, Biemnidin

IUPAC Name: 6,7-dibromo-3-[5-(6-bromo-1H-indol-3-yl)-4-methylpiperazin-2-yl]-1H-indol-4-ol

Structure

SMILES: CN1CC(C2=CNC3=C(Br)C(Br)=CC(O)=C23)NCC1C1=CNC2=CC(Br)=CC=C12

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InChI: InChI=1S/C21H19Br3N4O/c1-28-9-16(13-7-27-21-19(13)18(29)5-14(23)20(21)24)26-8-17(28)12-6-25-15-4-10(22)2-3-11(12)15/h2-7,16-17,25-27,29H,8-9H2,1H3

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InChIKey: AUJKXAIGSXKZBR-UHFFFAOYSA-N

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Reference

PubChem CID: 14059720

COCONUT: CNP0228447.1

Source

Species Genus Family Order Class Phylum Kingdom Domain
None Dragmacidon Axinellidae Axinellida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 583.1220000000001

TPSA: 67.08000000000001

MolLogP: 5.959700000000003

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information