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Details

Stereochemistry MIXED
Molecular Formula C20H18O4
Molecular Weight 322.3545
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOCUMAROL

SMILES

COC1(C)CC(C2=CC=CC=C2)C3=C(O1)C4=CC=CC=C4OC3=O

InChI

InChIKey=ZGFASEKBKWVCGP-UHFFFAOYSA-N
InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3

HIDE SMILES / InChI

Approval Year

1951
104
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG
substrate
1037

OverviewOther

Other InhibitorOther SubstrateOther Inducer
Drug as victim

Drug as victim

TargetModalityActivityMetaboliteClinical evidence
CYP2C9
1037
 likely
Sourcing

Sourcing

Vendor/AggregatorIDURL
3B Scientific (Wuhan) Corp
3B3-056407
http://www.3bsc.com/index/pro_info.php?id=94917
AHH Chemical co.,ltd
MT-58316
http://www.ahhchemical.com/product/MT-58316.html
Ambinter
Amb22361259
http://www.ambinter.com/reference/22361259
Aurora Fine Chemicals LLC
A17.894.650
http://online.aurorafinechemicals.com/info?ID=A17.894.650
BLD Pharm
BD149592
http://www.bldpharm.com/products/518-20-7.html
Clearsynth
CS-T-85881
https://www.clearsynth.com/en/CST85881.html
Finetech
FT-0708808
http://www.finetechnology-ind.com/prod/detail/pub/518-20-7.html
LGC Standards
DRE-C16600000
https://www.lgcstandards.com/US/en/p/DRE-C16600000
Sigma-Aldrich
45647_SIAL
https://www.sigmaaldrich.com/catalog/product/sial/45647?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Smolecule
S772792
https://www.smolecule.com/products/s772792
Name Type Language
CYCLOCUMAROL
MI  
Common Name English
CUMOPYRAN
Brand Name English
CYCLOCUMAROL [MI]
Common Name English
CYCLOCOUMAROL
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C263
Created by admin on Fri Dec 15 15:35:06 GMT 2023 , Edited by admin on Fri Dec 15 15:35:06 GMT 2023
Code System Code Type Description
ChEMBL
CHEMBL2104144
Created by admin on Fri Dec 15 15:35:06 GMT 2023 , Edited by admin on Fri Dec 15 15:35:06 GMT 2023
PRIMARY
DRUG CENTRAL
3121
Created by admin on Fri Dec 15 15:35:06 GMT 2023 , Edited by admin on Fri Dec 15 15:35:06 GMT 2023
PRIMARY
NCI_THESAURUS
C75155
Created by admin on Fri Dec 15 15:35:06 GMT 2023 , Edited by admin on Fri Dec 15 15:35:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID60862101
Created by admin on Fri Dec 15 15:35:06 GMT 2023 , Edited by admin on Fri Dec 15 15:35:06 GMT 2023
PRIMARY
MERCK INDEX
m1097
Created by admin on Fri Dec 15 15:35:06 GMT 2023 , Edited by admin on Fri Dec 15 15:35:06 GMT 2023
PRIMARY Merck Index
FDA UNII
725P8AW50M
Created by admin on Fri Dec 15 15:35:06 GMT 2023 , Edited by admin on Fri Dec 15 15:35:06 GMT 2023
PRIMARY
CAS
518-20-7
Created by admin on Fri Dec 15 15:35:06 GMT 2023 , Edited by admin on Fri Dec 15 15:35:06 GMT 2023
PRIMARY
PUBCHEM
10606
Created by admin on Fri Dec 15 15:35:06 GMT 2023 , Edited by admin on Fri Dec 15 15:35:06 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-248-3
Created by admin on Fri Dec 15 15:35:06 GMT 2023 , Edited by admin on Fri Dec 15 15:35:06 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of CYCLOCUMAROL
NIH
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