Pseudostellarin C
AlkaPlorer ID: AK064955
Synonym: ''
IUPAC Name: (3S,6S,12S,15S,21S,24S,27S)-24-benzyl-12,21-bis[(2S)-butan-2-yl]-15-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-1,4,10,13,16,19,22,25-octazatricyclo[25.3.0.06,10]triacontane-2,5,11,14,17,20,23,26-octone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H]([C@@H](C)O)N=C(O)CN=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CO)N=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C40H60N8O10/c1-6-22(3)31-37(55)41-20-30(51)44-33(24(5)50)38(56)46-32(23(4)7-2)40(58)48-18-12-16-29(48)36(54)43-27(21-49)39(57)47-17-11-15-28(47)35(53)42-26(34(52)45-31)19-25-13-9-8-10-14-25/h8-10,13-14,22-24,26-29,31-33,49-50H,6-7,11-12,15-21H2,1-5H3,(H,41,55)(H,42,53)(H,43,54)(H,44,51)(H,45,52)(H,46,56)/t22-,23-,24+,26-,27-,28-,29-,31-,32-,33-/m0/s1
InChIKey: JQSLAYSQUUVFNU-ANQDAJIASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudostellaria heterophylla | Pseudostellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 812.9659999999997
TPSA？: 276.62
MolLogP？: 3.2720000000000056
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|