3-benzyl-15-[(4-hydroxyphenyl)methyl]-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0?,¹?]heptacosane-2,5,11,14,17,20,23-heptone
AlkaPlorer ID: AK026281
Synonym: None
IUPAC Name: (3S,6S,15S,24S)-3-benzyl-15-[(4-hydroxyphenyl)methyl]-1,4,10,13,16,19,22-heptazatricyclo[22.3.0.06,10]heptacosane-2,5,11,14,17,20,23-heptone
Structure
SMILES: O=C1CN=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)CN=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN12
InChI: InChI=1S/C34H41N7O8/c42-23-12-10-22(11-13-23)16-24-31(46)37-20-30(45)40-14-4-9-27(40)33(48)39-25(17-21-6-2-1-3-7-21)34(49)41-15-5-8-26(41)32(47)36-18-28(43)35-19-29(44)38-24/h1-3,6-7,10-13,24-27,42H,4-5,8-9,14-20H2,(H,35,43)(H,36,47)(H,37,46)(H,38,44)(H,39,48)/t24-,25-,26-,27-/m0/s1
InChIKey: GIKMZVPXQPZWDF-FWEHEUNISA-N
Reference
Two Novel Cyclic Peptides, Yunnanins A and B from <i>Stellaria yunnanensis</i>
PubChem CID: 44584206
LOTUS: LTS0254789
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stellaria yunnanensis | Stellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 675.7430000000002
TPSA？: 223.8
MolLogP？: 2.692700000000003
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | P388 | IC50 | 2.1 | ug.mL-1 | 10.1021/np960123q |