Standard InChI: InChI=1S/C30H18O6/c31-21-7-1-17(2-8-21)29-15-25(33)23-13-19(5-11-27(23)35-29)20-6-12-28-24(14-20)26(34)16-30(36-28)18-3-9-22(32)10-4-18/h1-16,31-32H
Standard InChI Key: HWTOGIZHFDZTDK-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: 474.47
Molecular Weight (Monoisotopic): 474.1103
AlogP: 6.31
#Rotatable Bonds: 3
Polar Surface Area: 100.88
Molecular Species: NEUTRAL
HBA: 6
HBD: 2
#RO5 Violations: 1
HBA (Lipinski): 6
HBD (Lipinski): 2
#RO5 Violations (Lipinski): 1
CX Acidic pKa: 8.42
CX Basic pKa:
CX LogP: 5.00
CX LogD: 4.96
Aromatic Rings: 6
Heavy Atoms: 36
QED Weighted: 0.31
Np Likeness Score: 0.35
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]
