(2E)-4-hydroxy-N-(4-{[(1R,9R,10S,11R,12S)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-12-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-trien-11-yl]formamido}butyl)-2-methylbut-2-enam
AlkaPlorer ID: AK319787
Synonym: None
IUPAC Name: (1R,9R,10S,11R,12S)-1-hydroxy-N-[4-[[(E)-4-hydroxy-2-methylbut-2-enoyl]amino]butyl]-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxamide
Structure
SMILES: COC1=CC=C([C@]23OC4=CC(OC)=CC(OC)=C4[C@](O)([C@H](C(O)=NCCCCN=C(O)/C(C)=C/CO)[C@H]2C2=CC=CC=C2)[C@@H]3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1
InChI: InChI=1S/C42H52N2O14/c1-23(16-19-45)37(50)43-17-8-9-18-44-38(51)33-31(24-10-6-5-7-11-24)42(25-12-14-26(53-2)15-13-25)40(57-39-36(49)35(48)34(47)30(22-46)56-39)41(33,52)32-28(55-4)20-27(54-3)21-29(32)58-42/h5-7,10-16,20-21,30-31,33-36,39-40,45-49,52H,8-9,17-19,22H2,1-4H3,(H,43,50)(H,44,51)/b23-16+/t30-,31-,33+,34-,35+,36-,39+,40+,41+,42+/m1/s1
InChIKey: AVAKDVULNKXCEJ-DHCPAFAVSA-N
Reference
Rocaglamides, Glycosides, and Putrescine Bisamides from <i>Aglaia </i><i>d</i><i>asyclada</i>
PubChem CID: 10865699
LOTUS: LTS0000740
SuperNatural Ⅲ: SN0016134-03
NPASS: NPC296353
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pyrola media | Pyrola | Ericaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Erophaca baetica | Erophaca | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 808.8780000000006
TPSA？: 241.94
MolLogP？: 2.418400000000001
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|