Products for Research Use Only
RegisterLogin

Neobyakangelicol

CAT: 0804-HY-N3206Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N3206Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Neobyakangelicol is a natural product from Baizhi[1].
CAS Number
35214-82-5
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/neobyakangelicol.html
Solubility
10 mM in DMSO
Smiles
CC([C@@H](O)COC1=C(OC=C2)C2=C(OC)C(C=C3)=C1OC3=O)=C
Molecular Formula
C17H16O6
Molecular Weight
316.31
References & Citations
[1]Yasuhisa Saiki, et al. Coumarins in Wajirushiba. YAKUGAKU ZASSHI.Volume 91 (1971) Issue 12.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

9-(2-Hydroxy-3-Methylbut-3-Enoxy)-4-Methoxyfuro(3,2-G)Chromen-7-One

Neobyakangelicol is a member of psoralens.

CAS Number35214-82-5
PubChem CID616064
IUPAC Name9-(2-hydroxy-3-methylbut-3-enoxy)-4-methoxyfuro[3,2-g]chromen-7-one
Molecular FormulaC17H16O6
Molecular Weight316.30
XLogP2.9
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity501
SMILES
CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O
InChI
InChI=1S/C17H16O6/c1-9(2)12(18)8-22-17-15-11(6-7-21-15)14(20-3)10-4-5-13(19)23-16(10)17/h4-7,12,18H,1,8H2,2-3H3
InChIKey
UBAMGTKSOKGECF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-(2-Hydroxy-3-Methylbut-3-Enoxy)-4-Methoxyfuro(3,2-G)Chromen-7-One
CAS: 35214-82-5
CID: 616064
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 Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass316.09468823
Monoisotopic Mass316.09468823
Topological Polar Surface Area78.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
XN163692Neobyakangelicol

Popular Products