ChemSpider 2D Image | (10Z)-1,3,8-Trihydroxy-6-methyl-10-(2,4,5-trihydroxy-7-methyl-10-oxo-9(10H)-anthracenylidene)-9(10H)-anthracenone | C30H20O8

(10Z)-1,3,8-Trihydroxy-6-methyl-10-(2,4,5-trihydroxy-7-methyl-10-oxo-9(10H)-anthracenylidene)-9(10H)-anthracenone

  • Molecular FormulaC30H20O8
  • Average mass508.475 Da
  • Monoisotopic mass508.115814 Da
  • ChemSpider ID2280018
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(10Z)-1,3,8-Trihydroxy-6-methyl-10-(2,4,5-trihydroxy-7-methyl-10-oxo-9(10H)-anthracenyliden)-9(10H)-anthracenon [German] [ACD/IUPAC Name]
(10Z)-1,3,8-Trihydroxy-6-methyl-10-(2,4,5-trihydroxy-7-methyl-10-oxo-9(10H)-anthracenylidene)-9(10H)-anthracenone [ACD/IUPAC Name]
(10Z)-1,3,8-Trihydroxy-6-méthyl-10-(2,4,5-trihydroxy-7-méthyl-10-oxo-9(10H)-anthracénylidène)-9(10H)-anthracénone [French] [ACD/IUPAC Name]
9(10H)-Anthracenone, 1,3,8-trihydroxy-6-methyl-10-(2,4,5-trihydroxy-7-methyl-10-oxo-9(10H)-anthracenylidene)-, (10Z)- [ACD/Index Name]
4,5,7,4',5',7'-Hexahydroxy-2,2'-dimethyl-[9,9']bianthracenylidene-10,10'-dione
emodin dianthrone

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS214619 [DBID]
AIDS-214619 [DBID]
  • Miscellaneous
    • Compound Source:

      hypericin biosynthesis PlantCyc CPD-9558
      Linum usitatissimum PlantCyc CPD-9558
    • Bio Activity:

      emodin + emodin anthrone + H+ -> emodin dianthrone + H2O PlantCyc CPD-9558
      emodin dianthrone + a reduced electron acceptor + oxygen -> protohypericin + an oxidized electron acceptor + 2 H2O + 2 H+ PlantCyc CPD-9558

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 898.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.0±3.0 kJ/mol
Flash Point: 510.7±30.8 °C
Index of Refraction: 1.822
Molar Refractivity: 135.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 7.60
ACD/LogD (pH 5.5): 6.85
ACD/BCF (pH 5.5): 90799.94
ACD/KOC (pH 5.5): 117428.03
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 586.27
ACD/KOC (pH 7.4): 758.20
Polar Surface Area: 156 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 97.4±3.0 dyne/cm
Molar Volume: 311.2±3.0 cm3

Click to predict properties on the Chemicalize site






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