Gypsophin
AlkaPlorer ID: AK299814
Synonym: None
IUPAC Name: 2,20-dibenzyl-5-butan-2-yl-8-(2-methylpropyl)-1,4,7,10,16,19,22-heptazatricyclo[21.2.1.010,14]hexacosane-3,6,9,15,18,21,25,26-octone
Structure
SMILES: CCC(C)C1N=C(O)C(CC2=CC=CC=C2)N2C(=O)CC(N=C(O)C(CC3=CC=CC=C3)N=C(O)CN=C(O)C3CCCN3C(=O)C(CC(C)C)N=C1O)C2=O
InChI: InChI=1S/C41H53N7O8/c1-5-25(4)35-39(54)45-29(19-24(2)3)40(55)47-18-12-17-31(47)37(52)42-23-33(49)43-28(20-26-13-8-6-9-14-26)36(51)44-30-22-34(50)48(41(30)56)32(38(53)46-35)21-27-15-10-7-11-16-27/h6-11,13-16,24-25,28-32,35H,5,12,17-23H2,1-4H3,(H,42,52)(H,43,49)(H,44,51)(H,45,54)(H,46,53)
InChIKey: UDQQAHUINNPVOR-UHFFFAOYSA-N
Reference
Gypsophin: A novel α-glucosidase inhibitory cyclic peptide from the roots of Gypsophila oldhamiana
PubChem CID: 74083099
LOTUS: LTS0265153
COCONUT: CNP0291242.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gypsophila oldhamiana | Gypsophila | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 771.9159999999999
TPSA？: 220.64
MolLogP？: 4.953000000000004
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|