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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H14O5
Molecular Weight 286.2794
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HERACLENIN

SMILES

CC1(C)O[C@@H]1COC2=C3OC(=O)C=CC3=CC4=C2OC=C4

InChI

InChIKey=CTJZWFCPUDPLME-LLVKDONJSA-N
InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H14O5
Molecular Weight 286.2794
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Coumarins and bicoumarin from Ferula sumbul: anti-HIV activity and inhibition of cytokine release.
2000 Mar
Chemical constituents of Prangos tschiniganica; structure elucidation and absolute configuration of coumarin and furanocoumarin derivatives with anti-HIV activity.
2001 Jul
Imperatorin inhibits HIV-1 replication through an Sp1-dependent pathway.
2004 Sep 3
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:51:41 GMT 2023
Edited
by admin
on Fri Dec 15 19:51:41 GMT 2023
Record UNII
G71S84CX12
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HERACLENIN
Common Name English
7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE,9-((3,3-DIMETHYLOXIRANYL)METHOXY)-, (R)-
Common Name English
NSC-92228
Code English
Code System Code Type Description
NSC
92228
Created by admin on Fri Dec 15 19:51:41 GMT 2023 , Edited by admin on Fri Dec 15 19:51:41 GMT 2023
PRIMARY
CAS
2880-49-1
Created by admin on Fri Dec 15 19:51:41 GMT 2023 , Edited by admin on Fri Dec 15 19:51:41 GMT 2023
PRIMARY
FDA UNII
G71S84CX12
Created by admin on Fri Dec 15 19:51:41 GMT 2023 , Edited by admin on Fri Dec 15 19:51:41 GMT 2023
PRIMARY
PUBCHEM
458010
Created by admin on Fri Dec 15 19:51:41 GMT 2023 , Edited by admin on Fri Dec 15 19:51:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID40182990
Created by admin on Fri Dec 15 19:51:41 GMT 2023 , Edited by admin on Fri Dec 15 19:51:41 GMT 2023
PRIMARY