8-(3,4-Dihydroxybenzyl)-2,3,10,11-berbinetetrol; (8R*,13aS*)-form
AlkaPlorer ID: AK296103
Synonym: Javaberine A
IUPAC Name: 8-[(3,4-dihydroxyphenyl)methyl]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
Structure
SMILES: OC1=CC=C(CC2C3=CC(O)=C(O)C=C3CC3C4=CC(O)=C(O)C=C4CCN23)C=C1O
InChI: InChI=1S/C24H23NO6/c26-19-2-1-12(6-20(19)27)5-17-16-11-24(31)22(29)9-14(16)7-18-15-10-23(30)21(28)8-13(15)3-4-25(17)18/h1-2,6,8-11,17-18,26-31H,3-5,7H2
InChIKey: FAGGKCPHMLDUDN-UHFFFAOYSA-N
Reference
Javaberine A, New TNF-a and Nitric Oxide Production Inhibitor, from the Roots of Talinum paniculatum
PubChem CID: 85355056
CAS: 387868-69-1
LOTUS: LTS0189325
COCONUT: CNP0184147.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Talinum paniculatum | Talinum | Talinaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 421.4490000000002
TPSA？: 124.62
MolLogP？: 3.359500000000004
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|