U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H18O4
Molecular Weight 322.3545
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYLONCHOCARPIN

SMILES

CC1(C)OC2=CC=C(C(=O)\C=C\C3=CC=C(O)C=C3)C(O)=C2C=C1

InChI

InChIKey=IQHPDUUSMBMDGN-WEVVVXLNSA-N
InChI=1S/C20H18O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-12,21,23H,1-2H3/b9-5+

HIDE SMILES / InChI

Molecular Formula C20H18O4
Molecular Weight 322.3545
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:24:39 GMT 2025
Edited
by admin
on Mon Mar 31 22:24:39 GMT 2025
Record UNII
D6S8A779IY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYLONCHOCARPIN
Common Name English
ISOBAVACHROMENE
Preferred Name English
2-PROPEN-1-ONE, 1-(5-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-3-(4-HYDROXYPHENYL)-, (2E)-
Systematic Name English
Code System Code Type Description
FDA UNII
D6S8A779IY
Created by admin on Mon Mar 31 22:24:39 GMT 2025 , Edited by admin on Mon Mar 31 22:24:39 GMT 2025
PRIMARY
CAS
52801-22-6
Created by admin on Mon Mar 31 22:24:39 GMT 2025 , Edited by admin on Mon Mar 31 22:24:39 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
403661-18-7
Created by admin on Mon Mar 31 22:24:39 GMT 2025 , Edited by admin on Mon Mar 31 22:24:39 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
5889042
Created by admin on Mon Mar 31 22:24:39 GMT 2025 , Edited by admin on Mon Mar 31 22:24:39 GMT 2025
PRIMARY
CAS
56083-03-5
Created by admin on Mon Mar 31 22:24:39 GMT 2025 , Edited by admin on Mon Mar 31 22:24:39 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY