longicalycinin A
AlkaPlorer ID: AK043440
Synonym: '', 'Longicalycinin A'
IUPAC Name: (3R,6S,12S,15R)-6,12-dibenzyl-3-[(4-hydroxyphenyl)methyl]-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
Structure
SMILES: O=C1[C@@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)CN=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H]2CCCN12
InChI: InChI=1S/C34H37N5O6/c40-25-15-13-24(14-16-25)20-28-34(45)39-17-7-12-29(39)33(44)37-26(18-22-8-3-1-4-9-22)31(42)35-21-30(41)36-27(32(43)38-28)19-23-10-5-2-6-11-23/h1-6,8-11,13-16,26-29,40H,7,12,17-21H2,(H,35,42)(H,36,41)(H,37,44)(H,38,43)/t26-,27-,28+,29+/m0/s1
InChIKey: CWNYOXLYNGDTSL-QUAHOIDUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dianthus longicalyx | Dianthus | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 611.699
TPSA？: 170.9
MolLogP？: 4.356500000000003
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|