8-(3,4-Dihydroxybenzyl)-2,3,9,10-berbinetetrol; (8R*,13aS*)-form
AlkaPlorer ID: AK296102
Synonym: Javaberine B
IUPAC Name: 8-[(3,4-dihydroxyphenyl)methyl]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,9,10-tetrol
Structure
SMILES: OC1=CC=C(CC2C3=C(O)C(O)=CC=C3CC3C4=CC(O)=C(O)C=C4CCN32)C=C1O
InChI: InChI=1S/C24H23NO6/c26-18-3-1-12(8-20(18)28)7-17-23-14(2-4-19(27)24(23)31)9-16-15-11-22(30)21(29)10-13(15)5-6-25(16)17/h1-4,8,10-11,16-17,26-31H,5-7,9H2
InChIKey: ZACYZCVUMCBPOD-UHFFFAOYSA-N
Reference
Javaberine A, New TNF-a and Nitric Oxide Production Inhibitor, from the Roots of Talinum paniculatum
PubChem CID: 73657244
CAS: 387868-70-4
LOTUS: LTS0200869
COCONUT: CNP0357948.1
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 |
|---|