Molecule

Scutianine F

AlkaPlorer ID: AK042209

Synonym: '', 'Scutianine F'

IUPAC Name: (2S)-N-[(3S,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-[(2S)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide

Structure

SMILES: CN[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N/C=C\C2=CC=C(C=C2)O[C@H]1C(C)C

InChI: InChI=1S/C38H45N5O5/c1-25(2)34-33(42-36(45)32-15-10-22-43(32)38(47)31(39-3)24-28-13-8-5-9-14-28)37(46)41-30(23-27-11-6-4-7-12-27)35(44)40-21-20-26-16-18-29(48-34)19-17-26/h4-9,11-14,16-21,25,30-34,39H,10,15,22-24H2,1-3H3,(H,40,44)(H,41,46)(H,42,45)/b21-20-/t30-,31-,32-,33-,34-/m0/s1

InChIKey: OKWFLKIFQAURIN-RQXRXZBQSA-N

Reference

Hysodricanin-A, Mauritin-H, Scutianin-F und Aralionin-C, vier weitere cyclopeptidalkaloide aus Ziziphus, Scutia und Araliorhamnus

PubChem CID: 5281596

CAS: 64309-19-9

LOTUS: LTS0132359

NPASS: NPC93629

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Scutia buxifolia	Scutia	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 651.8080000000001

TPSA？: 128.87

MolLogP？: 3.2245000000000053

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi