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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H18O4
Molecular Weight 310.3438
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANOLIGNAN A

SMILES

OC1=CC=C(CC(=C)C(=C)CC2=CC=C3OCOC3=C2)C(O)=C1

InChI

InChIKey=HFSAUGRJONZEDN-UHFFFAOYSA-N
InChI=1S/C19H18O4/c1-12(7-14-3-6-18-19(9-14)23-11-22-18)13(2)8-15-4-5-16(20)10-17(15)21/h3-6,9-10,20-21H,1-2,7-8,11H2

HIDE SMILES / InChI

Molecular Formula C19H18O4
Molecular Weight 310.3438
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:46:01 GMT 2023
Edited
by admin
on Sat Dec 16 12:46:01 GMT 2023
Record UNII
F7IFG6J8RN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANOLIGNAN A
Common Name English
NSC-665937
Code English
1,3-BENZENEDIOL, 4-(3-(1,3-BENZODIOXOL-5-YLMETHYL)-2-METHYLENE-3-BUTEN-1-YL)-
Systematic Name English
4-(3-(1,3-BENZODIOXOL-5-YLMETHYL)-2-METHYLENE-3-BUTEN-1-YL)-1,3-BENZENEDIOL
Systematic Name English
1,3-BENZENEDIOL, 4-(3-(1,3-BENZODIOXOL-5-YLMETHYL)-2-METHYLENE-3-BUTENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
72391
Created by admin on Sat Dec 16 12:46:01 GMT 2023 , Edited by admin on Sat Dec 16 12:46:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID60166373
Created by admin on Sat Dec 16 12:46:01 GMT 2023 , Edited by admin on Sat Dec 16 12:46:01 GMT 2023
PRIMARY
FDA UNII
F7IFG6J8RN
Created by admin on Sat Dec 16 12:46:01 GMT 2023 , Edited by admin on Sat Dec 16 12:46:01 GMT 2023
PRIMARY
NSC
665937
Created by admin on Sat Dec 16 12:46:01 GMT 2023 , Edited by admin on Sat Dec 16 12:46:01 GMT 2023
PRIMARY
CAS
158081-97-1
Created by admin on Sat Dec 16 12:46:01 GMT 2023 , Edited by admin on Sat Dec 16 12:46:01 GMT 2023
PRIMARY