Astin K; 23,53-Dideoxy, 13-dechloro, 13β-hydroxy
AlkaPlorer ID: AK289662
Synonym: Astin I
IUPAC Name: 18-chloro-3,13-diethyl-17-hydroxy-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
Structure
SMILES: CCC1N=C(O)CC(C2=CC=CC=C2)N=C(O)C(CO)N=C(O)C(CC)N=C(O)C2C(O)C(Cl)CN2C1=O
InChI: InChI=1S/C25H34ClN5O7/c1-3-15-22(35)30-18(12-32)23(36)29-17(13-8-6-5-7-9-13)10-19(33)27-16(4-2)25(38)31-11-14(26)21(34)20(31)24(37)28-15/h5-9,14-18,20-21,32,34H,3-4,10-12H2,1-2H3,(H,27,33)(H,28,37)(H,29,36)(H,30,35)
InChIKey: COQCSFSVIYKVMO-UHFFFAOYSA-N
Reference
A Novel Cyclic Pentapeptide with a β-Hydroxy-γ-chloroproline from <i>Aster tataricus</i>
PubChem CID: 85083221
LOTUS: LTS0205369
COCONUT: CNP0191886.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinidia kolomikta | Actinidia | Actinidiaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aster tataricus | Aster | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 552.0280000000002
TPSA？: 191.13
MolLogP？: 2.0546
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|