Millingtonine
AlkaPlorer ID: AK306714
Synonym: None
IUPAC Name: 4a-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3-[4-[2-[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=CC2(CCOC3OC(CO)C(O)C(O)C3O)OC3C(CCN3C3=CC=C(CCOC4OC(CO)C(O)C(O)C4O)C=C3)C2C1
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
InChIKey: QCBWMDCBFUJLKV-UHFFFAOYSA-N
Reference
Millingtonine, an unusual glucosidal alkaloid from Millingtonia hortensis
PubChem CID: 76511500
LOTUS: LTS0161845
COCONUT: CNP0270054.1
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 |
|---|