ChemSpider 2D Image | cladoniamide G | C21H15Cl2N3O4

cladoniamide G

  • Molecular FormulaC21H15Cl2N3O4
  • Average mass444.267 Da
  • Monoisotopic mass443.043976 Da
  • ChemSpider ID28532952

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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(7R)-2,9-Dichlor-7-hydroxy-13-methoxy-N-methyl-6-oxo-7,12-dihydro-6H-benzo[2,3]indolizino[8,7-b]indol-7-carboxamid [German] [ACD/IUPAC Name]
(7R)-2,9-Dichloro-7-hydroxy-13-methoxy-N-methyl-6-oxo-7,12-dihydro-6H-benzo[2,3]indolizino[8,7-b]indole-7-carboxamide [ACD/IUPAC Name]
(7R)-2,9-Dichloro-7-hydroxy-13-méthoxy-N-méthyl-6-oxo-7,12-dihydro-6H-benzo[2,3]indolizino[8,7-b]indole-7-carboxamide [French] [ACD/IUPAC Name]
1041752-02-6 [RN]
6H-Pyrido[1,2-a:3,4-b']diindole-7-carboxamide, 2,9-dichloro-7,12-dihydro-7-hydroxy-13-methoxy-N-methyl-6-oxo-, (7R)- [ACD/Index Name]
cladoniamide G
(7R)-2,9-dichloro-7-hydroxy-13-methoxy-N-methyl-6-oxo-7,12-dihydro-6H-pyrido[1,2-a:3,4-b']diindole-7-carboxamide
E'AGN-PC-04YR0M'
E'CHEBI:65639'
  • Miscellaneous

    • Chemical Class:

      An organic heteropentacyclic compound that is 7,12-dihydro-6<element>H</element>-pyrido[1,2-<ital>a</ital>:3,4-<ital>b'</ital>]diindole substituted by chloro groups at positions 2 and 9, a hydroxy gro up at position 7, a methoxy group at position 13, a <element>N</element>-methyl carbamyl group at position 7 and an oxo group at position 6 (the 7<stereo>R</stereo> stereoisomer). It is isolated from the culture broth of <ital>Streptomyces uncialis</ital> and exhibits cytotoxicity against human breast cancer MCF- cells. ChEBI CHEBI:65639
      An organic heteropentacyclic compound that is 7,12-dihydro-6H-pyrido[1,2-a:3,4-b']diindole substituted by chloro groups at positions 2 and 9, a hydroxy gro; up at position 7, a methoxy group at positi on 13, a N-methyl carbamyl group at position 7 and an oxo group at position 6 (the 7R stereoisomer). It is isolated from ; the culture broth of Streptomyces uncialis and exhibits cytotoxicity against human breast cancer MCF- cells. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65639
      An organic heteropentacyclic compound that is 7,12-dihydro-6H-pyrido[1,2-a:3,4-b']diindole substituted by chloro groups at positions 2 and 9, a hydroxy group at position 7, a methoxy group at position 13, a N-methyl carbamyl group at position 7 and an oxo group at position 6 (the 7R stereoisomer). It is isolated from the culture broth of Streptomyces uncialis and exhibits cytotoxicity against huma n breast cancer MCF- cells. ChEBI CHEBI:65639

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 813.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 445.9±34.3 °C
Index of Refraction: 1.755
Molar Refractivity: 110.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.99
ACD/KOC (pH 5.5): 1286.50
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 152.65
ACD/KOC (pH 7.4): 1267.07
Polar Surface Area: 96 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 268.6±7.0 cm3

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