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8-Methyldisporopsin

CAT: 0804-HY-N16503Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N16503Size:1 Each
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Description
8-Methyldisporopsin (Compound 7) is a C-methylated homoisoflavanone. 8-Methyldisporopsin can be isolated from rhizomes of Polygonatum cyrtonema[1].
CAS Number
1671098-51-3
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
O=C1C2=C(O)C=C(O)C(C)=C2OC[C@H]1CC3=C(C=C(C=C3)O)O
Molecular Formula
C17H16O6
Molecular Weight
316.31
References & Citations
[1]Wan J, et al. C-methylated homoisoflavanones from the rhizomes of polygonatum cyrtonema and their chemotaxonomic significance. Biochemical Systematics and Ecology, 2024, 112: 104773.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

8-Methyldisporopsin
CAS Number1671098-51-3
PubChem CID122399367
IUPAC Name(3R)-3-[(2,4-dihydroxyphenyl)methyl]-5,7-dihydroxy-8-methyl-2,3-dihydrochromen-4-one
Molecular FormulaC17H16O6
Molecular Weight316.30
XLogP2.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity441
SMILES
CC1=C2C(=C(C=C1O)O)C(=O)[C@@H](CO2)CC3=C(C=C(C=C3)O)O
InChI
InChI=1S/C17H16O6/c1-8-12(19)6-14(21)15-16(22)10(7-23-17(8)15)4-9-2-3-11(18)5-13(9)20/h2-3,5-6,10,18-21H,4,7H2,1H3/t10-/m1/s1
InChIKey
XSJNRUGIFUVHSD-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of 8-Methyldisporopsin
CAS: 1671098-51-3
CID: 122399367
Formula: C17H16O6
MW: 316.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.30
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass316.09468823
Monoisotopic Mass316.09468823
Topological Polar Surface Area107 Ų
Heavy Atom Count23
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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