Cas no 162854-37-7 (2,3,9,10-Tetrahydroxyberberine)
162854-37-7 structure
Product Name:2,3,9,10-Tetrahydroxyberberine
CAS No:162854-37-7
MF:C17H14NO4
MW:296.297364711761
CID:134959
PubChem ID:443768
Update Time:2025-04-19
2,3,9,10-Tetrahydroxyberberine Chemical and Physical Properties
Names and Identifiers
-
- Dibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetrahydroxy-
- 2,3,9,10-Tetrahydroxyberberine
- 2,3-Desmethylene-9,10-desmethylberberine
- 9,10-Di-O-demethyl-2,3-O-demethyleneberberine
- C12331
- SureCN12904354
- BDBM50300547
- Q27114117
- 2,3,9,10-Tetrahydroxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium
- 2,3,9,10-Tetrahydroxy-5,6-dihydro-isoquino[3,2-a]isoquinolinylium chloride
- DAHMYCXNJSCLGA-UHFFFAOYSA-O
- AKOS040735633
- AC1L9F5R
- CHEMBL572918
- LS-61261
- 5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3,9,10-tetrol
- CHEMBL1197457
- SCHEMBL12904354
- CHEBI:31070
- 162854-37-7
-
- Inchi： 1S/C17H13NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,5-8H,3-4H2,(H3,19,20,21,22)/p+1
- InChI Key： DAHMYCXNJSCLGA-UHFFFAOYSA-O
- SMILES： OC1=C(C=CC2C1=C[N+]1=C(C=2)C2C=C(C(=CC=2CC1)O)O)O
Computed Properties
- Exact Mass: 296.09232
- Monoisotopic Mass: 296.09228293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 420
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 84.8
- XLogP3: 2.4
Experimental Properties
- Color/Form: Powder
- PSA: 84.8
2,3,9,10-Tetrahydroxyberberine Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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