CYD0618 - Moligand™ , CAS No.C609698

CAS: C609698 Cat. No.: C609698 PubChem CID: 72734470

등급 & 순도 Moligand™

Synonyms

compound 28;CYD-0618

Storage

Room temperature

사양

동의어

compound 28;CYD-0618

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

이름과 식별자

정식 스마일

[C@@H]12CC[C@@H]3[C@@H](O)[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@@]32c2c(CC(C)(C)[C@H]3[C@@H]1O)sc(NCC=C)n2

InChIKey

UAOUIVVJBYDFKD-XKCDOFEDSA-N

INCHI

1S/C24H30N2O5S/c1-5-8-25-20-26-16-13(32-20)9-21(3,4)15-19(29)24(30)23-14(22(15,16)10-31-24)7-6-12(18(23)28)11(2)17(23)27/h5,12,14-15,18-19,28-30H,1-2,6-10H2,3-4H3,(H,25,26)/t12-,14-,15+,18+,19-,22-,23-,24-/m0/s1

이성체 SMILES

CC1(CC2=C([C@]34[C@@H]1[C@@H]([C@@]([C@]56[C@H]3CC[C@H]([C@H]5O)C(=C)C6=O)(OC4)O)O)N=C(S2)NCC=C)C

PubChem CID

72734470

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Naphthothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Naphthothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthothiazoles
• Alternative Parents: Naphthalenes Secondary alkylarylamines Oxanes 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary alcohols Ketones Hemiacetals Cyclic alcohols and derivatives Polyols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthothiazole - Naphthalene - Secondary aliphatic/aromatic amine - 1,3-thiazol-2-amine - Oxane - Heteroaromatic compound - Thiazole - Cyclic alcohol - Azole - Secondary alcohol - Ketone - Hemiacetal - Oxacycle - Azacycle - Secondary amine - Polyol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as naphthothiazoles. These are polycyclic aromatic compounds containing a thiazole fused to a naphthalene. Thiazole is a 5-membered aromatic ring containing three carbon, one oxygen, and one nitrogen atom. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
• 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

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