Corynoline - analytical standard, ≥97% , CAS No.18797-79-0

CAS: 18797-79-0 Cat. No.: C115867 분자식: C₂₁H₂₁NO₅ 분자량: 367.40 EC 번호: 683-177-2

등급 & 순도 Analytical standard, ≥97%

Synonyms

(invertedexclamationmarkA)-Corynoline|CLIMBAZOLE [USP-RS]|(11S,13R,14R)-corynoline|13-methylchelidonine|13,24-Dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol|[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, (5bR,6S,12bR)-|(5BR,6S,12BR)-5B,6,7,12B,13,14-HEXAHYDRO-5B,13-DIMETHYL(1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDIN-6-OL|(+)-corynoline|Corynoline|(5bR,6S,12bR)-5b,13-dimethyl-5b,6,7,12b,13,14-hexahydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol|(1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol|Chelidonine, 13-methyl-|( inverted exclamation markA)-Corynoline

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

사양

동의어

(invertedexclamationmarkA)-Corynoline | CLIMBAZOLE [USP-RS] | (11S,13R,14R)-corynoline | 13-methylchelidonine | 13,24-Dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol | [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-5b,1 Show more

사양 및 순도

analytical standard, ≥97%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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등급

분석 표준물질

작업 유형

INHIBITOR

순수함

≥97%

이름과 식별자

Pubchem Sid

528774523

정식 스마일

CC12C(CC3=CC4=C(C=C3C1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O

IUPAC Name

(1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol

InChIKey

IQUGPRHKZNCHGC-TYPHKJRUSA-N

INCHI

1S/C21H21NO5/c1-21-14-3-4-15-19(27-10-24-15)13(14)8-22(2)20(21)12-7-17-16(25-9-26-17)5-11(12)6-18(21)23/h3-5,7,18,20,23H,6,8-10H2,1-2H3/t18-,20+,21-/m0/s1

이성체 SMILES

C[C@]12[C@H](CC3=CC4=C(C=C3[C@H]1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O

분자량

367.40

Reaxy-Rn

4161698

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4161698&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • 분류 Benzophenanthridine alkaloids
      • Subclass Hexahydrobenzophenanthridine alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 분류: Benzophenanthridine alkaloids
• Subclass: Hexahydrobenzophenanthridine alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Hexahydrobenzophenanthridine alkaloids
• Alternative Parents: Phenanthridines and derivatives Tetralins Tetrahydroisoquinolines Benzodioxoles Aralkylamines Trialkylamines Secondary alcohols Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hexahydrobenzophenanthridine alkaloid skeleton - Benzoquinoline - Phenanthridine - Quinoline - Tetrahydroisoquinoline - Tetralin - Benzodioxole - Aralkylamine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Acetal - Azacycle - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as hexahydrobenzophenanthridine alkaloids. These are alkaloids containing a hexahydrobenzophenanthridine skeleton, which is a tetracyclic compound containing a benzene fused to a hexahydrophenanthridine moiety.
• External Descriptors: secondary alcohol - organic heterohexacyclic compound - benzophenanthridine alkaloid - isoquinolines - cyclic acetal

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

관련 대상(인간)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive
• 분자량: 367.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 367.142 Da
• Monoisotopic Mass: 367.142 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 603.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1