Standard InChI: InChI=1S/C30H18O4/c31-25-17-29(33-27-15-7-5-13-23(25)27)21-11-3-1-9-19(21)20-10-2-4-12-22(20)30-18-26(32)24-14-6-8-16-28(24)34-30/h1-18H
Standard InChI Key: PIQHYPITNOQNFB-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: 442.47
Molecular Weight (Monoisotopic): 442.1205
AlogP: 6.90
#Rotatable Bonds: 3
Polar Surface Area: 60.42
Molecular Species: NEUTRAL
HBA: 4
HBD: 0
#RO5 Violations: 1
HBA (Lipinski): 4
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 1
CX Acidic pKa:
CX Basic pKa:
CX LogP: 5.61
CX LogD: 5.61
Aromatic Rings: 6
Heavy Atoms: 34
QED Weighted: 0.30
Np Likeness Score: 0.23
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]
