Standard InChI: InChI=1S/C32H22O6/c1-35-23-9-3-19(4-10-23)31-17-27(33)25-15-21(7-13-29(25)37-31)22-8-14-30-26(16-22)28(34)18-32(38-30)20-5-11-24(36-2)12-6-20/h3-18H,1-2H3
Standard InChI Key: SHSKKHSLUAJXLD-UHFFFAOYSA-N
Associated Targets(non-human)
Aspergillus oryzae 433 Activities
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Fusarium solani 1274 Activities
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Candida albicans 78123 Activities
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Candida parapsilosis 8521 Activities
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Cryptococcus neoformans 21258 Activities
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Aspergillus niger 16508 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 502.52
Molecular Weight (Monoisotopic): 502.1416
AlogP: 6.92
#Rotatable Bonds: 5
Polar Surface Area: 78.88
Molecular Species: NEUTRAL
HBA: 6
HBD: 0
#RO5 Violations: 2
HBA (Lipinski): 6
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 2
CX Acidic pKa:
CX Basic pKa:
CX LogP: 5.29
CX LogD: 5.29
Aromatic Rings: 6
Heavy Atoms: 38
QED Weighted: 0.25
Np Likeness Score: 0.16
References
1.Sagrera G, Bertucci A, Vazquez A, Seoane G.. (2011) Synthesis and antifungal activities of natural and synthetic biflavonoids., 19 (10):[PMID:21530273][10.1016/j.bmc.2011.04.010]
