methyl (2R,3S,4R)-6,8-dimethoxy-2-(4-methoxyphenyl)-4-({4-[(2E)-2-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enamido]butyl}carbamoyl)-5-oxo-3-phenyl-3,4-dihydro-1-benzoxepine-2-carboxylate
AlkaPlorer ID: AK319536
Synonym: None
IUPAC Name: methyl (2R,3S,4R)-6,8-dimethoxy-2-(4-methoxyphenyl)-4-[4-[[(E)-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enoyl]amino]butylcarbamoyl]-5-oxo-3-phenyl-3,4-dihydro-1-benzoxepine-2-carboxylate
Structure
SMILES: COC(=O)[C@@]1(C2=CC=C(OC)C=C2)OC2=CC(OC)=CC(OC)=C2C(=O)[C@H](C(O)=NCCCCN=C(O)/C(C)=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1C1=CC=CC=C1
InChI: InChI=1S/C43H52N2O15/c1-24(17-20-58-41-38(50)37(49)35(47)31(23-46)59-41)39(51)44-18-9-10-19-45-40(52)33-34(25-11-7-6-8-12-25)43(42(53)57-5,26-13-15-27(54-2)16-14-26)60-30-22-28(55-3)21-29(56-4)32(30)36(33)48/h6-8,11-17,21-22,31,33-35,37-38,41,46-47,49-50H,9-10,18-20,23H2,1-5H3,(H,44,51)(H,45,52)/b24-17+/t31-,33-,34-,35-,37+,38-,41-,43+/m1/s1
InChIKey: MGBXEJCVVOOFHS-JFYYQVSQSA-N
Reference
Rocaglamides, Glycosides, and Putrescine Bisamides from <i>Aglaia </i><i>d</i><i>asyclada</i>
PubChem CID: 163188232
LOTUS: LTS0040363
SuperNatural Ⅲ: SN0224713-03
NPASS: NPC266029
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: 836.8880000000005
TPSA？: 244.85
MolLogP？: 3.2120000000000024
Number of H-Donors: 6
Number of H-Acceptors: 15
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|