Products for Research Use Only
RegisterLogin

Suberosin

CAT: 0926-FS65527-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FS65527-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
581-31-7
Synonyms
7-Methoxy-6-prenylcoumarin
MDL Number
MFCD00210574
Smiles
CC (=CCC1=C (C=C2C (=C1) C=CC (=O) O2) OC) C
Molecular Formula
C15H16O3
Molecular Weight
244.29 g/mol
Controlled
No

Chemical Information

Suberosin

Suberosin is a member of the class of coumarins in which the coumarin ring is substituted at positions 6 and 7 by a 3-methylbut-2-en-1-yl group and a methoxy group, respectively. A natural product found in Citropsis articulata. It has a role as an anticoagulant and a plant metabolite. It is a member of coumarins and an aromatic ether. It is functionally related to a 7-demethylsuberosin.

CAS Number581-31-7
PubChem CID68486
IUPAC Name7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one
Molecular FormulaC15H16O3
Molecular Weight244.28
XLogP3.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity366
SMILES
CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C
InChI
InChI=1S/C15H16O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4,6-9H,5H2,1-3H3
InChIKey
RSZDAYHEZSRVHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Suberosin
CAS: 581-31-7
CID: 68486
Formula: C15H16O3
MW: 244.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.28
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass244.109944368
Monoisotopic Mass244.109944368
Topological Polar Surface Area35.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity366
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M20470-01Suberosin

Popular Products