Dianthin B
AlkaPlorer ID: AK022090
Synonym: ''
IUPAC Name: (6S,12S,15S,18S,21S)-12,15-dibenzyl-18-[(2S)-butan-2-yl]-1,4,10,13,16,19-hexazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C36H46N6O6/c1-3-23(2)31-35(47)38-26(20-24-12-6-4-7-13-24)32(44)39-27(21-25-14-8-5-9-15-25)36(48)42-19-11-16-28(42)33(45)37-22-30(43)41-18-10-17-29(41)34(46)40-31/h4-9,12-15,23,26-29,31H,3,10-11,16-22H2,1-2H3,(H,37,45)(H,38,47)(H,39,44)(H,40,46)/t23-,26-,27-,28-,29-,31-/m0/s1
InChIKey: BGIIBDKAZHSXJX-PAGGWMLNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dianthus superbus | Dianthus | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 658.8000000000002
TPSA？: 170.98
MolLogP？: 4.445300000000004
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|