Terminology Service for NFDI4Health
JSON

actinorhodin

Go to external page http://purl.obolibrary.org/obo/CHEBI_2448

A member of the class of benzoisochromanequinone that is produced by Streptomyces coelicolor A3(2) and exhibits antibiotic activity.

Term info

Label

actinorhodin

Synonyms
  • 2,2'-[(1R,1'R,3S,3'S)-5,5',10,10'-tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo[3,3',4,4',6,6',9,9'-octahydro-1H,1'H-8,8'-binaphtho[2,3-c]pyran]-3,3'-diyl]diacetic acid
  • Actinorhodin
database cross reference
Subsets

3_STAR

IUPAC NAME
2,2'-[(1R,1'R,3S,3'S)-5,5',10,10'-tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo[3,3',4,4',6,6',9,9'-octahydro-1H,1'H-8,8'-binaphtho[2,3-c]pyran]-3,3'-diyl]diacetic acid [ IUPAC ]

charge

0

formula

C32H26O14

has obo namespace

chebi_ontology

has related synonym

Actinorhodine

id

CHEBI:2448

inchi

InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,41-44H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1

inchikey

FXTIILIJTTYSLT-WYUUTHIRSA-N

mass

634.54044

monoisotopicmass

634.13226

smiles

C[C@H]1O[C@H](CC(O)=O)Cc2c(O)c3C(=O)C=C(C(=O)c3c(O)c12)C1=CC(=O)c2c(O)c3C[C@@H](CC(O)=O)O[C@H](C)c3c(O)c2C1=O