Gypsin B
AlkaPlorer ID: AK130206
Synonym: '(-)-Gypsin B'
IUPAC Name: (3S,6S,9S,15S,21S)-3-benzyl-15-[(2S)-butan-2-yl]-6-[(4-hydroxyphenyl)methyl]-1,4,7,13,16,19-hexazatricyclo[19.3.0.09,13]tetracosane-2,5,8,14,17,20-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]2CCCN2C1=O
InChI: InChI=1S/C36H46N6O7/c1-3-22(2)31-36(49)42-18-8-12-29(42)34(47)38-26(19-24-13-15-25(43)16-14-24)32(45)39-27(20-23-9-5-4-6-10-23)35(48)41-17-7-11-28(41)33(46)37-21-30(44)40-31/h4-6,9-10,13-16,22,26-29,31,43H,3,7-8,11-12,17-21H2,1-2H3,(H,37,46)(H,38,47)(H,39,45)(H,40,44)/t22-,26-,27-,28-,29-,31-/m0/s1
InChIKey: XQVZNPAWHHECNJ-XMMDVVFZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gypsophila arabica | Gypsophila | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 674.799
TPSA？: 191.21
MolLogP？: 4.150900000000002
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|