Molecule

9-[3-Bromo-2-(2,3-dibromo-4,5-dihydroxybenzyl)-4,5-dihydroxybenzyl]adenine

AlkaPlorer ID: AK006321

Synonym: None

IUPAC Name: 5-[[6-[(6-aminopurin-9-yl)methyl]-2-bromo-3,4-dihydroxyphenyl]methyl]-3,4-dibromobenzene-1,2-diol

Structure

SMILES: NC1=NC=NC2=C1N=CN2CC1=CC(O)=C(O)C(Br)=C1CC1=CC(O)=C(O)C(Br)=C1Br

InChI: InChI=1S/C19H14Br3N5O4/c20-12-7(2-10(28)17(31)14(12)22)1-9-8(3-11(29)16(30)13(9)21)4-27-6-26-15-18(23)24-5-25-19(15)27/h2-3,5-6,28-31H,1,4H2,(H2,23,24,25)

InChIKey: LNDRNSGCCHZQMR-UHFFFAOYSA-N

Reference

Bromophenols Coupled with Nucleoside Bases and Brominated Tetrahydroisoquinolines from the Red Alga <i>Rhodomela confervoides</i>

PubChem CID: 16116470

LOTUS: LTS0174276

SuperNatural Ⅲ: SN0210099

COCONUT: CNP0161589

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Rhodomela confervoides	Rhodomela	Rhodomelaceae	Ceramiales	Florideophyceae	Rhodophyta	None	Eukaryota

Properties Information

Molecule Weight: 616.0640000000001

TPSA？: 150.54

MolLogP？: 4.157500000000003

Number of H-Donors: 5

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi