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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

Molecular Formula C20H18O4
Molecular Weight 322.3545
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Overview

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer
Drug as victim

Drug as victim

TargetModalityActivityMetaboliteClinical evidence
likely
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:35:06 GMT 2023
Edited
by admin
on Fri Dec 15 15:35:06 GMT 2023
Record UNII
725P8AW50M
Record Status Validated (UNII)
Record Version
  • Download
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