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Suberosin

CAT: 0931-T5795-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T5795-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
581-31-7
Target
NF-κB
Related Pathways
NF-κB
Purity
0.9926
Bioactivity
Suberosin exhibits anti-inflammatory, and anticoagulant activities, it also shows biting deterrent activity against Aedes aegypti, it may be useful for use as mosquito larvicidal agent.
Smiles
COc1cc2oc(=O)ccc2cc1CC=C(C)C
Molecular Formula
C15H16O3
Molecular Weight
244.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Related Products

CatalogName
T26234Suberosol

Alternative Products

CatalogName
AB0981Suberosin
XS164080Suberosin epoxide

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