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Tupichinol C

CAT: 0804-HY-N10870Size: 1 EachDry Ice: NoHazardous: No
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Description
Tupichinol C is a flavonoid, isolated from Tupistra chinensis[1].
CAS Number
118204-66-3
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tupichinol-c.html
Solubility
10 mM in DMSO
Smiles
OC1=CC=C2CC[C@H](C3=CC=C(O)C=C3)OC2=C1
Molecular Formula
C15H14O3
Molecular Weight
242.27
References & Citations
[1]Wen-Bin Pan, et al. New flavans, spirostanol sapogenins, and a pregnane genin from Tupistra chinensis and their cytotoxicity. J Nat Prod. 2003 Feb;66 (2) :161-8.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Tupichinol C

tupichinol C has been reported in Soymida febrifuga and Broussonetia kazinoki with data available.

CAS Number118204-66-3
PubChem CID11064571
IUPAC Name(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Molecular FormulaC15H14O3
Molecular Weight242.27
XLogP3.1
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity273
SMILES
C1CC2=C(C=C(C=C2)O)O[C@H]1C3=CC=C(C=C3)O
InChI
InChI=1S/C15H14O3/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14/h1-3,5-7,9,14,16-17H,4,8H2/t14-/m1/s1
InChIKey
YXMLGIGHGPSEKA-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Tupichinol C
CAS: 118204-66-3
CID: 11064571
Formula: C15H14O3
MW: 242.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.27
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass242.094294304
Monoisotopic Mass242.094294304
Topological Polar Surface Area49.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity273
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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