Pseudostellarin H
AlkaPlorer ID: AK052206
Synonym: ''
IUPAC Name: (3R,6R,12R,18S,21R,24R,27S)-18,21-dibenzyl-24-[(2S)-butan-2-yl]-12-[(1S)-1-hydroxyethyl]-3-[(1R)-1-hydroxyethyl]-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]2CCCN2C(=O)[C@@H]([C@@H](C)O)N=C(O)[C@H]2CCCN2C(=O)[C@@H]([C@H](C)O)N=C(O)CN=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C44H60N8O10/c1-5-25(2)35-42(60)47-31(23-29-16-10-7-11-17-29)39(57)46-30(22-28-14-8-6-9-15-28)38(56)45-24-34(55)48-36(26(3)53)43(61)51-20-13-19-33(51)41(59)50-37(27(4)54)44(62)52-21-12-18-32(52)40(58)49-35/h6-11,14-17,25-27,30-33,35-37,53-54H,5,12-13,18-24H2,1-4H3,(H,45,56)(H,46,57)(H,47,60)(H,48,55)(H,49,58)(H,50,59)/t25-,26-,27+,30-,31+,32-,33+,35+,36+,37+/m0/s1
InChIKey: KTMXVTWRZLIJFG-QRMDWWQZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudostellaria heterophylla | Pseudostellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 861.01
TPSA？: 276.61999999999995
MolLogP？: 3.8571000000000097
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|