Molecule

D1399

AlkaPlorer ID: AK018267

Synonym: None

IUPAC Name: None

Structure

SMILES: C[C@H]1C[C@@H](C)C[C@]2(C)C1[C@@]([H])(OC3=C([H])C=C4C=C3)[C@@]5([H])[C@]2([H])C(C)=C[C@@H](/C=C(C)\C)[C@]5([H])C(C6=C([H])[C@](OC)(C4)NC6=O)=O

InChI: InChI=1S/C34H43NO4/c1-18(2)12-23-14-21(5)28-27-26(23)30(36)25-17-34(38-7,35-32(25)37)16-22-8-10-24(11-9-22)39-31(27)29-20(4)13-19(3)15-33(28,29)6/h8-12,14,17,19-20,23,26-29,31H,13,15-16H2,1-7H3,(H,35,37)/t19-,20+,23-,26+,27-,28+,29?,31+,33+,34-/m1/s1

InChIKey: QJVGYTBDTFQCMA-JMJARQRKSA-N

Reference

A Meroterpenoid from Tibetan Medicine Induces Lung Cancer Cells Apoptosis through ROS-Mediated Inactivation of the AKT Pathway

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 529.7210000000003

TPSA？: 64.63

MolLogP？: 6.051100000000006

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi