Pseudostellarin D
AlkaPlorer ID: AK047802
Synonym: ''
IUPAC Name: (6S,12S,15R,18S,21S)-12,18-bis[(2R)-butan-2-yl]-15-[(2S)-butan-2-yl]-6-[(4-hydroxyphenyl)methyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Structure
SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@@H]([C@@H](C)CC)N=C(O)[C@H]([C@H](C)CC)N=C(O)[C@@H]2CCCN2C(=O)CN=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)CN=C1O
InChI: InChI=1S/C36H55N7O8/c1-7-20(4)29-34(49)37-18-27(45)39-25(17-23-12-14-24(44)15-13-23)32(47)38-19-28(46)43-16-10-11-26(43)33(48)40-30(21(5)8-2)35(50)42-31(22(6)9-3)36(51)41-29/h12-15,20-22,25-26,29-31,44H,7-11,16-19H2,1-6H3,(H,37,49)(H,38,47)(H,39,45)(H,40,48)(H,41,51)(H,42,50)/t20-,21-,22+,25+,26+,29+,30+,31-/m1/s1
InChIKey: NSEYCUULGSQSEC-ZSYLHNCDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudostellaria heterophylla | Pseudostellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 713.8770000000002
TPSA？: 236.08
MolLogP？: 5.291000000000005
Number of H-Donors: 7
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|