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Dorsmanin A

CAT: 0804-HY-N3776Size: 1 EachDry Ice: NoHazardous: No
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Description
Dorsmanin A is a prenylated flavonoid from the twigs of Dorstenia mannii[1].
CAS Number
162229-27-8
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dorsmanin-a.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=C2C(CCC(C)(C)O2)=C1O)/C=C/C3=CC=C(O)C=C3
Molecular Formula
C20H20O4
Molecular Weight
324.37
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Ngadjui, , et al. "Geranylated and prenylated flavonoids from the twigs of Dorstenia mannii." Phytochemistry 48.2 (1998) : 349-354.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

dorsmanin A

dorsmanin A has been reported in Dorstenia prorepens, Dorstenia zenkeri, and other organisms with data available.

CAS Number162229-27-8
PubChem CID5472480
IUPAC Name(E)-1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular FormulaC20H20O4
Molecular Weight324.4
XLogP4.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity476
SMILES
CC1(CCC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC=C(C=C3)O)C
InChI
InChI=1S/C20H20O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-10,21,23H,11-12H2,1-2H3/b9-5+
InChIKey
UDSAJERKQRQHJR-WEVVVXLNSA-N
Chemical Structure
2D Structure
2D structure of dorsmanin A
CAS: 162229-27-8
CID: 5472480
Formula: C20H20O4
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass324.13615911
Monoisotopic Mass324.13615911
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity476
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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