Altromycin B - Moligand™ , CAS No.128461-00-7

CAS: 128461-00-7 Cat. No.: A607564 PubChem CID: 148125

등급 & 순도 Moligand™

Synonyms

GTPL10964 | Altromycin B | methyl 2-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)-2-[10-[4-(dimethylamino)-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]-2-

Storage

Room temperature

사양

동의어

GTPL10964 | Altromycin B | methyl 2-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)-2-[10-[4-(dimethylamino)-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]-2-

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

이름과 식별자

정식 스마일

COC1CC(OC(C1O)C)OC1C(C)OC(CC1(C)N(C)C)c1ccc2c(c1O)C(=O)c1c(C2=O)cc(c2c1oc(cc2=O)C1(C)OC1C)C(C1OC(C)C(C(C1O)OC)O)(C(=O)OC)O

IUPAC Name

methyl 2-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)-2-[10-[4-(dimethylamino)-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]-2-hydroxyacetate

InChIKey

FAGGWQMBDCZCOI-UHFFFAOYSA-N

INCHI

1S/C47H59NO18/c1-18-34(50)27(58-9)16-30(62-18)65-42-20(3)61-28(17-45(42,5)48(7)8)22-12-13-23-31(37(22)53)38(54)32-24(36(23)52)14-25(33-26(49)15-29(64-40(32)33)46(6)21(4)66-46)47(57,44(56)60-11)43-39(55)41(59-10)35(51)19(2)63-43/h12-15,18-21,27-28,30,34-35,39,41-43,50-51,53,55,57H,16-17H2,1-11H3

이성체 SMILES

CC1C(C(CC(O1)OC2C(OC(CC2(C)N(C)C)C3=C(C4=C(C=C3)C(=O)C5=CC(=C6C(=O)C=C(OC6=C5C4=O)C7(C(O7)C)C)C(C8C(C(C(C(O8)C)O)OC)O)(C(=O)OC)O)O)C)OC)O

PubChem CID

148125

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Naphthopyrans
      • Subclass Naphthopyranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Naphthopyrans
• Subclass: Naphthopyranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthopyranone glycosides
• Alternative Parents: Anthraquinones Chromones O-glycosyl compounds Aryl ketones 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Pyranones and derivatives Oxanes Monosaccharides Vinylogous acids Tertiary alcohols Heteroaromatic compounds Methyl esters Amino acids and derivatives Secondary alcohols Trialkylamines Epoxides Dialkyl ethers Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Hydrocarbon derivatives Aromatic alcohols Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthopyranone glycoside - 9,10-anthraquinone - Anthraquinone - Anthracene - O-glycosyl compound - Glycosyl compound - Chromone - 1-benzopyran - Benzopyran - Aryl ketone - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Pyran - Benzenoid - Monosaccharide - Oxane - Vinylogous acid - Methyl ester - Tertiary alcohol - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Ketone - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic alcohol - Amine - Organopnictogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as naphthopyranone glycosides. These are compounds containing a carbohydrate moiety glycosidically linked to a naphthopyranone moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y