ChemSpider 2D Image | (1R,2R,4R,5Z,13S,16Z)-25-(9H-beta-Carbolin-1-yl)-11,22-diazapentacyclo[11.11.2.1~2,22~.0~2,12~.0~4,11~]heptacosa-5,16,25-trien-13-ol | C36H44N4O

(1R,2R,4R,5Z,13S,16Z)-25-(9H-β-Carbolin-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol

  • Molecular FormulaC36H44N4O
  • Average mass548.761 Da
  • Monoisotopic mass548.351501 Da
  • ChemSpider ID4976271

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,2R,4R,5Z,13S,16Z)-25-(9H-β-Carbolin-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol [ACD/IUPAC Name]
(1R,2R,4R,5Z,13S,16Z)-25-(9H-β-Carbolin-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol [German] [ACD/IUPAC Name]
(1R,2R,4R,5Z,13S,16Z)-25-(9H-β-Carbolin-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trién-13-ol [French] [ACD/IUPAC Name]
3H-7,2-[3]Octeno-1H-azocino[1',2':1,5]pyrrolo[2,3-i]isoquinolin-7(7aH)-ol, 4,4a,9,10,11,12,14a,15-octahydro-5-(9H-pyrido[3,4-b]indol-1-yl)-, (4aR,7S,13Z,14aR,15aR,18Z)- [ACD/Index Name]
(1R,2R,4R,5Z,13S,16Z)-25-(9H-Pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
1,13-Etheno-4,21a-methano-1H-azocino(1',2':1,5)pyrrolo(3,2-e)azac- yclopentadecin-13(13aH)-ol, 2,3,5,6,7,8,11,12,15,16,17,18,20a,21-tetradecahydro-24-(9H-pyrido- (3,4-b)indol-1-yl)-, (1R-(1R*,9Z,13S*,13aR*,20R*,21aR*))-
104196-68-1 [RN]
manzamine A

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

AIDS022837 [DBID]
AIDS-022837 [DBID]
  • Miscellaneous

    • Bio Activity:

      Antibiotic with antibacterial activity Hello Bio HB3969
      Antibiotic. Antibacterial against Gram positive and Gram negative bacteria. Exhibits chemotherapeutic activity. Blocks tumor cell invasion and restores cancer cell susceptibility to apoptosis in vitro. Uncouples vacuolar ATPases, inhibiting autophagy and tumor growth. Antimalaria, antifungal and antiviral agent. GSK-3beta inhibitor. Anti-Alzheimer's agent. Decreased tau hyperphosphorylation. Anti-hyperlipidemic. Inhibits cholesterol ester formation and acyl-CoA:cholesterol acyl-transferase (ACAT) activity in vitro and decreases total cholesterol, triglycerides and LDL levels. Anti-atherosclerotic. Inhibits foam cell formation in macrophages. Hello Bio HB3969
      Antibiotics Hello Bio HB3969
      Cell signaling/Antibiotics/ Antivirals / antibacterials / immunomodulators Hello Bio HB3969

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

Density: 1.3±0.1 g/cm3
Boiling Point: 756.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.4±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 167.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 20.83
ACD/KOC (pH 5.5): 20.59
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 4510.22
ACD/KOC (pH 7.4): 4457.93
Polar Surface Area: 55 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 433.7±5.0 cm3

Click to predict properties on the Chemicalize site


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