Molecule

heteryunine A

AlkaPlorer ID: AK016859

Synonym: None

IUPAC Name: None

Structure

SMILES: O=C(CC(N[C@@H](C(O)=O)CC1=C(NC2=CC=CC=C12)[C@H]3[C@@]4(C[C@@H]([C@H](O4)CO)O)OC5=CC(O)=C6C[C@H](O)[C@@H](C7=CC=C(O)C(O)=C7)OC6=C53)=O)O

InChI: InChI=1S/C35H34N2O14/c38-13-26-24(43)12-35(51-26)30(31-16(15-3-1-2-4-18(15)37-31)8-19(34(47)48)36-27(44)11-28(45)46)29-25(50-35)10-21(40)17-9-23(42)32(49-33(17)29)14-5-6-20(39)22(41)7-14/h1-7,10,19,23-24,26,30,32,37-43H,8-9,11-13H2,(H,36,44)(H,45,46)(H,47,48)/t19-,23+,24+,26-,30+,32-,35+/m1/s1

InChIKey: WBEHLQAXZOSVIK-YQIYTBEQSA-N

Reference

Heteryunine A, an amidated tryptophan-catechin-spiroketal hybrid with antifibrotic activity from Heterosmilax yunnanensis

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Smilax binchuanensis	Smilax	Smilacaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 706.6570000000005

TPSA？: 268.55999999999995

MolLogP？: 1.2710999999999992

Number of H-Donors: 10

Number of H-Acceptors: 12

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi