Aristomanoside
AlkaPlorer ID: AK050180
Synonym: ''
IUPAC Name: (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-N-[2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]prop-2-enamide
Structure
SMILES: COC1=CC(/C=C/C(O)=NCCC2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C31H41NO15/c1-42-19-11-15(3-6-17(19)44-30-28(40)26(38)24(36)21(13-33)46-30)5-8-23(35)32-10-9-16-4-7-18(20(12-16)43-2)45-31-29(41)27(39)25(37)22(14-34)47-31/h3-8,11-12,21-22,24-31,33-34,36-41H,9-10,13-14H2,1-2H3,(H,32,35)/b8-5+/t21-,22-,24-,25-,26+,27+,28-,29-,30-,31-/m1/s1
InChIKey: OLETUPJEQJHKIN-XYMOGAPJSA-N
Reference
Constituents from the Stems of<i>Aristolochia</i><i>m</i><i>anshuriensis</i>
PubChem CID: 11028762
LOTUS: LTS0203038
NPASS: NPC224719
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristolochia manshuriensis | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 667.6610000000004
TPSA？: 249.81
MolLogP？: -1.726399999999997
Number of H-Donors: 9
Number of H-Acceptors: 15
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | None | None | 10.1021/np0301238 |
| Homo sapiens | MCF7 | Activity | None | None | 10.1021/np0301238 |