(3aR,5R,6S,7S,7aS)-7-[6-(hydroxymethyl)-2H-1,3-benzodioxol-5-yl]-6-methoxy-1-methyl-octahydroindol-5-ol
AlkaPlorer ID: AK077728
Synonym: None
IUPAC Name: (3aR,5R,6S,7S,7aS)-7-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-5-ol
Structure
SMILES: CO[C@H]1[C@@H](C2=CC3=C(C=C2CO)OCO3)[C@@H]2[C@H](CCN2C)C[C@H]1O
InChI: InChI=1S/C18H25NO5/c1-19-4-3-10-5-13(21)18(22-2)16(17(10)19)12-7-15-14(23-9-24-15)6-11(12)8-20/h6-7,10,13,16-18,20-21H,3-5,8-9H2,1-2H3/t10-,13-,16+,17+,18-/m1/s1
InChIKey: KDFFHQWIQPWMSY-SYIWKVFNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Helminthostachys zeylanica | Helminthostachys | Ophioglossaceae | Ophioglossales | Polypodiopsida | Streptophyta | Viridiplantae | Eukaryota |
| Passiflora ligularis | Passiflora | Passifloraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Prunus dulcis | Prunus | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.4000000000001
TPSA？: 71.39
MolLogP？: 1.0910999999999995
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|