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Monocerin

CAT: 0931-T36992-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T36992-02Size:5 mg
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CAS Number
30270-60-1
Target
Others, Antifungal, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
Monocerin is a fungal metabolite that has been found inF. larvarumand has diverse biological activities.1,2,3It is active against the bacteriaE. coliandB. megaterium, the phytopathogenic fungusM. violaceum, and the algaC. fuscain an agar diffusion assay when used at a concentration of 50 μg/disc.1Monocerin (17.5 μg/ml) induces mortality in adultC. erythrocephala.2It reduces root elongation in pre-germinatedS. halepenseseeds when used at a concentration of 33 ppm.3
Smiles
CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(OC)c(OC)cc3[C@H]2O1
Molecular Formula
C16H20O6
Molecular Weight
308.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Monocerin

Monocerin is a hydroxybenzoic acid. It has a role as a metabolite.

CAS Number30270-60-1
PubChem CID92267
IUPAC Name(2S,3aR,9bR)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one
Molecular FormulaC16H20O6
Molecular Weight308.33
XLogP2.9
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity413
SMILES
CCC[C@H]1C[C@@H]2[C@H](O1)C3=CC(=C(C(=C3C(=O)O2)O)OC)OC
InChI
InChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11+,14+/m0/s1
InChIKey
VAYQNUBOZLPGDH-OLXJLDBKSA-N
Chemical Structure
2D Structure
2D structure of Monocerin
CAS: 30270-60-1
CID: 92267
Formula: C16H20O6
MW: 308.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.33
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass308.12598835
Monoisotopic Mass308.12598835
Topological Polar Surface Area74.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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