Molecule

Spicataxine

AlkaPlorer ID: AK070181

Synonym: '(+)-Spicataxine'

IUPAC Name: None

Structure

SMILES: CC(=O)O[C@@H]1[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](O)[C@]3(C)CC[C@H](OC(=O)C[C@H](C4=CC=CC=C4)[NH+](C)C)[C@]4(CO4)[C@@H]13)C2(C)C

InChI: InChI=1S/C37H51NO10/c1-20-27(45-21(2)39)17-25-31(46-22(3)40)33-36(7,34(43)32(47-23(4)41)30(20)35(25,5)6)16-15-28(37(33)19-44-37)48-29(42)18-26(38(8)9)24-13-11-10-12-14-24/h10-14,25-28,31-34,43H,15-19H2,1-9H3/p+1/t25-,26+,27-,28-,31+,32+,33-,34-,36+,37+/m0/s1

InChIKey: SSMQJZMZRRHBGA-IEXCIOQWSA-O

Reference

Révision Structurale de la Taxine B, Alcaloïde Majoritaire des Feuilles de l'If d'Europe, Taxus baccata

LOTUS: LTS0156685

NPASS: NPC223566

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Artocarpus nobilis	Artocarpus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Austrotaxus spicata	Austrotaxus	Taxaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Microdochium bolleyi	Microdochium	Microdochiaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Trichoderma koningii	Trichoderma	Hypocreaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Boerhavia diffusa	Boerhavia	Nyctaginaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 670.82

TPSA？: 142.4

MolLogP？: 2.891600000000003

Number of H-Donors: 2

Number of H-Acceptors: 10

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi