(1R,2S,6R,8S)-8-(2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-5-[4-(2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)phenyl]-7-oxa-5-azatricyclo[6.4.0.0²,⁶]dodec-9-en-11-one
AlkaPlorer ID: AK497495
Synonym: None
IUPAC Name: (3aR,4aS,8aS,8bS)-4a-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]-1,2,3a,8,8a,8b-hexahydro-[1]benzofuro[2,3-b]pyrrol-7-one
Structure
SMILES: O=C1C=C[C@]2(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]3[C@@H](CCN3C3=CC=C(CCO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)[C@@H]2C1
InChI: InChI=1S/C32H45NO14/c34-14-21-23(37)25(39)27(41)30(45-21)43-11-7-16-1-3-17(4-2-16)33-10-6-19-20-13-18(36)5-8-32(20,47-29(19)33)9-12-44-31-28(42)26(40)24(38)22(15-35)46-31/h1-5,8,19-31,34-35,37-42H,6-7,9-15H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1
InChIKey: QCBWMDCBFUJLKV-ZVCRVKPZSA-N
Reference
Millingtonine, an unusual glucosidal alkaloid from Millingtonia hortensis
PubChem CID: 57327193
LOTUS: LTS0276039
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Millingtonia hortensis | Millingtonia | Bignoniaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 667.7050000000006
TPSA？: 228.29999999999995
MolLogP？: -2.6811999999999907
Number of H-Donors: 8
Number of H-Acceptors: 15
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|