7-O-Methylipecoside
AlkaPlorer ID: AK093171
Synonym: ''
IUPAC Name: methyl (2S,3S,4S)-4-[[(1R)-2-acetyl-6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Structure
SMILES: C=C[C@@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1C2=CC(OC)=C(O)C=C2CCN1C(C)=O
InChI: InChI=1S/C28H37NO12/c1-5-15-17(9-19-16-10-21(37-3)20(32)8-14(16)6-7-29(19)13(2)31)18(26(36)38-4)12-39-27(15)41-28-25(35)24(34)23(33)22(11-30)40-28/h5,8,10,12,15,17,19,22-25,27-28,30,32-35H,1,6-7,9,11H2,2-4H3/t15-,17-,19+,22-,23-,24+,25-,27-,28+/m0/s1
InChIKey: MMDKNWPBIGPCLV-BXMVPKAESA-N
Reference
Antiparasitic Alkaloids from <i>Psychotria klugii</i>
PubChem CID: 162923176
LOTUS: LTS0135686
SuperNatural Ⅲ: SN0229324-01
Source
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Properties Information
Molecule Weight: 579.5990000000003
TPSA？: 184.68
MolLogP？: -0.1152999999999995
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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