Pseudostellarin A
AlkaPlorer ID: AK026248
Synonym: ''
IUPAC Name: (6S,9S,12S,15S)-9-[(2R)-butan-2-yl]-12-[(4-hydroxyphenyl)methyl]-6-methyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
Structure
SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2CCCN2C(=O)CN=C(O)[C@H](C)N=C1O
InChI: InChI=1S/C25H35N5O6/c1-4-14(2)21-25(36)27-15(3)22(33)26-13-20(32)30-11-5-6-19(30)24(35)28-18(23(34)29-21)12-16-7-9-17(31)10-8-16/h7-10,14-15,18-19,21,31H,4-6,11-13H2,1-3H3,(H,26,33)(H,27,36)(H,28,35)(H,29,34)/t14-,15+,18+,19+,21+/m1/s1
InChIKey: DXLCLVHVNXYTJQ-WTNBSONCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudostellaria heterophylla | Pseudostellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 501.58400000000034
TPSA？: 170.9
MolLogP？: 2.937100000000001
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|