Molecule

heterpyrazine A

AlkaPlorer ID: AK016861

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=C4OC)C(O)=O

InChI: InChI=1S/C27H31N3O12/c1-30-16(11-29-23(34)24(30)35)10-28-15-6-3-13(4-7-15)26(38)40-12-19-20(31)21(32)22(33)27(42-19)41-17-8-5-14(25(36)37)9-18(17)39-2/h3-9,16,19-22,27-28,31-33H,10-12H2,1-2H3,(H,29,34)(H,36,37)/t16-,19+,20+,21-,22+,27+/m0/s1

InChIKey: HKSBIGKINNVSJL-CQERWTPQSA-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: 589.5540000000003

TPSA？: 213.41999999999993

MolLogP？: -1.194499999999992

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi