CHEBI:69521 - 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside
ChEBI ID CHEBI:69521
ChEBI ASCII Name 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
Definition A disaccharide derivative that is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone attached to a (6ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the roots of Rubia yunnanensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB3202179, eMolecules:36772339, ZINC000004104829
Download Molfile XML SDF
Formula C29H32O15
Net Charge 0
Average Mass 620.55540
Monoisotopic Mass 620.17412
InChI InChI=1S/C29H32O15/c1-9-16(7-15-18(19(9)32)22(35)13-5-4-12(31)6-14(13)21(15)34)42-29-27(25(38)23(36)17(43-29)8-40-11(3)30)44-28-26(39)24(37)20(33)10(2)41-28/h4-7,10,17,20,23-29,31-33,36-39H,8H2,1-3H3/t10-,17+,20-,23+,24+,25-,26+,27+,28-,29+/m0/s1
InChIKey MYMGMMVFIFXMSB-TUABHHCTSA-N
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]2Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Rubia yunnanensis (IPNI:765385-1) Found in root (BTO:0001188). Methanolic extract of air dried powdered roots. See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
(via 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69521) has functional parent 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone (CHEBI:69519)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69521) has role antineoplastic agent (CHEBI:35610)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69521) has role plant metabolite (CHEBI:76924)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69521) is a acetate ester (CHEBI:47622)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69521) is a dihydroxyanthraquinone (CHEBI:37484)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69521) is a disaccharide derivative (CHEBI:63353)
IUPAC Name
4,7-dihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl 6-O-acetyl-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Registry Number Type Source
5694983 Reaxys Registry Number Reaxys
Citation Type Source
21973054 PubMed citation Europe PMC
Last Modified
09 January 2014