Molecule

heterpyrazine B

AlkaPlorer ID: AK016866

Synonym: None

IUPAC Name: None

Structure

SMILES: O[C@@H]([C@@H]([C@H]1O)O)[C@@H](COC(C2=CC=C(NC[C@@H]3N(C(C(NC3)=O)=O)C)C=C2)=O)O[C@H]1OC4=CC=C(C=C4[H])C(O)=O

InChI: InChI=1S/C26H29N3O11/c1-29-16(11-28-22(33)23(29)34)10-27-15-6-2-14(3-7-15)25(37)38-12-18-19(30)20(31)21(32)26(40-18)39-17-8-4-13(5-9-17)24(35)36/h2-9,16,18-21,26-27,30-32H,10-12H2,1H3,(H,28,33)(H,35,36)/t16-,18+,19+,20-,21+,26+/m0/s1

InChIKey: FNJJINWULRYTBV-MIMOWQRFSA-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: 559.5280000000004

TPSA？: 204.18999999999994

MolLogP？: -1.2030999999999923

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi