Molecule

⊿5 (20R, 24R) 23-oxo-24-methylsolacongetidine

AlkaPlorer ID: AK013872

Synonym: None

IUPAC Name: None

Structure

SMILES: C[C@@H]1CCN=C(C1=O)[C@@H](C2CCC3C4CC=C5C[C@H](CC[C@@]5(C4CC[C@]23C)C)O)C

InChI: InChI=1S/C27H41NO2/c1-16-11-14-28-24(25(16)30)17(2)21-7-8-22-20-6-5-18-15-19(29)9-12-26(18,3)23(20)10-13-27(21,22)4/h5,16-17,19-23,29H,6-15H2,1-4H3/t16-,17-,19+,20?,21?,22?,23?,26+,27-/m1/s1

InChIKey: IOKFAOJRURLSPO-UTFDNZQZSA-N

Reference

Steroidal alkaloids isolated from Veratrum grandiflorum Loes. as novel Smoothened inhibitors with anti-proliferation effects on DAOY medulloblastoma cells

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 411.6300000000002

TPSA？: 49.66

MolLogP？: 5.612300000000007

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi