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· · COA & SDS available for every product · Same-day shipping on in-stock items Cimifugin - Moligand™, ≥98% , Inhibitor of TRPV4, CAS No.37921-38-3, Inhibitor of TRPV4
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% Synonyms
Cimitin|(2S)-2,3-Dihydro-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-5H-furo[3,2-g][1]benzopyran-5-one|(2S)-7-(hydroxymethyl)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one|(2S)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one|(S)-7-(Hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydro-5H-furo[3,2-g]chromen-5-one|Cimifugin
Shipped In
Ice chest + Ice pads
Overview Information
Cimifugin is a bioactive component of Saposhnikovia divaricata, a Chinese herb for treating allergy.
Specifications Synonyms
Cimitin | (2S)-2,3-Dihydro-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-5H-furo[3,2-g][1]benzopyran-5-one | (2S)-7-(hydroxymethyl)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one | (2S)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one | (S)-7-(Hydroxymethyl)-2-( Show more
Specifications & Purity
Moligand™, ≥98%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Inhibitor of TRPV4
Names and Identifiers Canonical Smiles
CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO)O
IUPAC Name
(2S)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
InChIKey
ATDBDSBKYKMRGZ-ZDUSSCGKSA-N
INCHI
1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3/t13-/m0/s1
Isomeric SMILES
CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO)O
MeSH Entry Terms
cimifugin
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19400210&ln=
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzopyrans Subclass 1-benzopyrans Intermediate Tree Nodes Chromones Direct Parent Furanochromones Alternative Parents Coumarans Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Tertiary alcohols Heteroaromatic compounds Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols Molecular Framework Aromatic heteropolycyclic compounds Substituents Furanochromone - Coumaran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Vinylogous ester - Oxacycle - Ether - Alcohol - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic alcohol - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as furanochromones. These are polycyclic aromatic compounds containing a furan ring fused to a 1-benzopyran-4-one ring system. External Descriptors chromones Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 306.310 g/mol XLogP3 0.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 3 Exact Mass 306.11 Da Monoisotopic Mass 306.11 Da Topological Polar Surface Area 85.200 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 485.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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