Molecule

Tonkinensine B

AlkaPlorer ID: AK013510

Synonym: None

IUPAC Name: None

Structure

SMILES: O=C1C=CC=C2N1C[C@@H]1C[C@@H]2CN(CC2=C3C(=CC=C2O)[C@H]2[C@@H](CO3)C3=CC4=C(C=C3O2)OCO4)C1

InChI: InChI=1S/C28H26N2O6/c31-22-5-4-17-27(33-13-20-18-7-24-25(35-14-34-24)8-23(18)36-28(17)20)19(22)12-29-9-15-6-16(11-29)21-2-1-3-26(32)30(21)10-15/h1-5,7-8,15-16,20,28,31H,6,9-14H2/t15-,16-,20+,28+/m1/s1

InChIKey: JXSLKTOGVPMPCS-JKEZUHHMSA-N

Reference

Tonkinensine B induces apoptosis through mitochondrial dysfunction and inactivation of the PI3K/AKT pathway in triple-negative breast cancer cells

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 486.52400000000034

TPSA？: 82.39000000000001

MolLogP？: 3.5116000000000023

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi