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(+) -Conocarpan

CAT: 0926-WIA66627-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-WIA66627-01Size:10 mg
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CAS Number
221666-27-9
Smiles
CC=CC1=CC2=C (C=C1) OC (C2C) C3=CC=C (C=C3) O
Molecular Formula
C18H18O2
Molecular Weight
266.3 g/mol
Controlled
No

Chemical Information

(+)-Conocarpan

(+)-conocarpan is a member of the class of benzofurans that is 2,3-dihydro-1-benzofuran substituted by a methyl group at position 3, a prop-1-en-1-yl group at position 5 and a 4-hydroxyphenyl group at position 2. It is a lignan derivative isolated from the roots of Krameria lappacea. It has a role as a cyclooxygenase 2 inhibitor, a cyclooxygenase 1 inhibitor, an anti-inflammatory agent, a NF-kappaB inhibitor and a plant metabolite. It is a member of phenols and a member of benzofurans.

CAS Number221666-27-9
PubChem CID6474521
IUPAC Name4-[(2S,3S)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
Molecular FormulaC18H18O2
Molecular Weight266.3
XLogP4.4
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity343
SMILES
C/C=C/C1=CC2=C(C=C1)O[C@@H]([C@H]2C)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3/b4-3+/t12-,18-/m0/s1
InChIKey
GXJSAHXNLJFDPO-OFXNJDNMSA-N
Chemical Structure
2D Structure
2D structure of (+)-Conocarpan
CAS: 221666-27-9
CID: 6474521
Formula: C18H18O2
MW: 266.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.3
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass266.130679813
Monoisotopic Mass266.130679813
Topological Polar Surface Area29.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity343
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
379890Conocarpan
MBS5787522(+)-Conocarpan
RM-C151401-01(+) -Conocarpan
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