Standard InChI: InChI=1S/C14H20O2/c1-8(2)11-6-5-9(3)13(11)12-7-10(4)14(15)16-12/h7-9,11H,5-6H2,1-4H3/b13-12+/t9-,11-/m1/s1
Standard InChI Key: ZWHNOXXXHSMWIW-YKYPZQJLSA-N
Associated Targets(non-human)
Rhodotorula glutinis 200 Activities
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Mucor plumbeus 22 Activities
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Bacillus subtilis 32866 Activities
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Staphylococcus aureus 210822 Activities
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Micrococcus luteus 7463 Activities
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Escherichia coli 133304 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Unknown
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 220.31
Molecular Weight (Monoisotopic): 220.1463
AlogP: 3.45
#Rotatable Bonds: 1
Polar Surface Area: 26.30
Molecular Species:
HBA: 2
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 2
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa:
CX LogP: 3.51
CX LogD: 3.51
Aromatic Rings: 0
Heavy Atoms: 16
QED Weighted: 0.63
Np Likeness Score: 1.85
References
1.Sandargo B, Michehl M, Stadler M, Surup F.. (2020) Antifungal Sesquiterpenoids, Rhodocoranes, from Submerged Cultures of the Wrinkled Peach Mushroom, Rhodotus palmatus., 83 (3):[PMID:31820970][10.1021/acs.jnatprod.9b00871]
