Astin A
AlkaPlorer ID: AK052264
Synonym: None
IUPAC Name: (3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-13-ethyl-3-[(1S)-1-hydroxyethyl]-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
Structure
SMILES: CC[C@@H]1N=C(O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H]([C@H](C)O)N=C(O)C[C@H](C2=CC=CC=C2)N=C(O)[C@H](CO)N=C1O
InChI: InChI=1S/C25H33Cl2N5O7/c1-3-15-22(36)30-17(11-33)23(37)29-16(13-7-5-4-6-8-13)9-18(35)31-20(12(2)34)25(39)32-10-14(26)19(27)21(32)24(38)28-15/h4-8,12,14-17,19-21,33-34H,3,9-11H2,1-2H3,(H,28,38)(H,29,37)(H,30,36)(H,31,35)/t12-,14+,15-,16+,17-,19+,20-,21-/m0/s1
InChIKey: LOHHRJVRAMTARJ-FKOMMSEQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aster tataricus | Aster | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 586.4730000000002
TPSA？: 191.13
MolLogP？: 2.2719
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|