adifoline
AlkaPlorer ID: AK366202
Synonym: None
IUPAC Name: 5,18-dihydroxy-15-methoxycarbonyl-20-methyl-17-oxa-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8,10,12(21),15-heptaene-10-carboxylic acid
Structure
SMILES: COC(=O)C1=COC(O)C2C1CC1=NC(C(=O)O)=CC3=C1N(C1=CC=C(O)C=C31)C2C
InChI: InChI=1S/C22H20N2O7/c1-9-18-12(14(21(28)30-2)8-31-22(18)29)6-15-19-13(7-16(23-15)20(26)27)11-5-10(25)3-4-17(11)24(9)19/h3-5,7-9,12,18,22,25,29H,6H2,1-2H3,(H,26,27)
InChIKey: DJWXVEDJWPDUBQ-UHFFFAOYSA-N
Reference
Adina alkaloids: the structure of adifoline
PubChem CID: 5087852
CAS: 20072-28-0
LOTUS: LTS0164940
COCONUT: CNP0145014.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haldina cordifolia | Haldina | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 424.40900000000016
TPSA？: 131.11
MolLogP？: 2.3483
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|