Dianthin C
AlkaPlorer ID: AK004470
Synonym: '(-)-Dianthin C'
IUPAC Name: (3S,6S,9S,12S,18S)-3-benzyl-12-[(2S)-butan-2-yl]-6-[(4-hydroxyphenyl)methyl]-9-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](C(C)C)N=C1O
InChI: InChI=1S/C36H48N6O7/c1-5-22(4)31-35(48)41-30(21(2)3)34(47)38-26(18-24-13-15-25(43)16-14-24)32(45)39-27(19-23-10-7-6-8-11-23)36(49)42-17-9-12-28(42)33(46)37-20-29(44)40-31/h6-8,10-11,13-16,21-22,26-28,30-31,43H,5,9,12,17-20H2,1-4H3,(H,37,46)(H,38,47)(H,39,45)(H,40,44)(H,41,48)/t22-,26-,27-,28-,30-,31-/m0/s1
InChIKey: HYJVANPNJUWJBY-LVPXBQTASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dianthus longicalyx | Dianthus | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 676.8150000000002
TPSA？: 203.49
MolLogP？: 5.141000000000003
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|