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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H26N2O10
Molecular Weight 550.5134
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BALANOL

SMILES

OC(=O)C1=C(C(=O)C2=C(O)C=C(C=C2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)C4=CC=C(O)C=C4)C(O)=CC=C1

InChI

InChIKey=XYUFCXJZFZPEJD-XMSQKQJNSA-N
InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BALANOL
Common Name English
(-)-BALANOL
Common Name English
OPHIOCORDIN
Common Name English
AZEPINOSTATIN
Common Name English
BENZOIC ACID, 4-(2-CARBOXY-6-HYDROXYBENZOYL)-3,5-DIHYDROXY-, 1-(HEXAHYDRO-3-((4-HYDROXYBENZOYL)AMINO)-1H-AZEPIN-4-YL) ESTER, (3R-TRANS)-
Systematic Name English
BENZOIC ACID, 4-(2-CARBOXY-6-HYDROXYBENZOYL)-3,5-DIHYDROXY-, (3R,4R)-HEXAHYDRO-3-((4-HYDROXYBENZOYL)AMINO)-1H-AZEPIN-4-YL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
O0N0E1MP23
Created by admin on Sat Dec 16 11:41:00 GMT 2023 , Edited by admin on Sat Dec 16 11:41:00 GMT 2023
PRIMARY
DRUG BANK
DB04098
Created by admin on Sat Dec 16 11:41:00 GMT 2023 , Edited by admin on Sat Dec 16 11:41:00 GMT 2023
PRIMARY
CAS
63590-19-2
Created by admin on Sat Dec 16 11:41:00 GMT 2023 , Edited by admin on Sat Dec 16 11:41:00 GMT 2023
PRIMARY
WIKIPEDIA
BALANOL
Created by admin on Sat Dec 16 11:41:00 GMT 2023 , Edited by admin on Sat Dec 16 11:41:00 GMT 2023
PRIMARY
PUBCHEM
5287736
Created by admin on Sat Dec 16 11:41:00 GMT 2023 , Edited by admin on Sat Dec 16 11:41:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID201318143
Created by admin on Sat Dec 16 11:41:00 GMT 2023 , Edited by admin on Sat Dec 16 11:41:00 GMT 2023
PRIMARY