Pseudostellarin B
AlkaPlorer ID: AK034829
Synonym: ''
IUPAC Name: (3S,18S,24S,27S)-24-benzyl-18-[(2S)-butan-2-yl]-1,7,10,13,16,19,22,25-octazatricyclo[25.3.0.03,7]triacontane-2,8,11,14,17,20,23,26-octone
Structure
SMILES: CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)CNC1=O
InChI: InChI=1S/C33H46N8O8/c1-3-20(2)29-32(48)37-17-26(43)34-16-25(42)35-19-28(45)40-13-8-12-24(40)33(49)41-14-7-11-23(41)31(47)38-22(15-21-9-5-4-6-10-21)30(46)36-18-27(44)39-29/h4-6,9-10,20,22-24,29H,3,7-8,11-19H2,1-2H3,(H,34,43)(H,35,42)(H,36,46)(H,37,48)(H,38,47)(H,39,44)/t20-,22-,23-,24-,29-/m0/s1
InChIKey: QFUNIUYCQLWNMO-BHUZBVAGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudostellaria heterophylla | Pseudostellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 682.7790000000001
TPSA？: 215.22
MolLogP？: -2.2947999999999933
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|