(14R,18R,19S,20R)-5,20-dihydroxy-15-(methoxycarbonyl)-18-methyl-17-oxa-1,11-diazapentacyclo[10.8.1.0²,⁷.0⁸,²¹.0¹⁴,¹⁹]henicosa-2(7),3,5,8(21),9,11,15-heptaene-10-carboxylic acid
AlkaPlorer ID: AK538207
Synonym: None
IUPAC Name: 5,20-dihydroxy-15-methoxycarbonyl-18-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(C)C2C1CC1=NC(C(=O)O)=CC3=C1N(C1=CC=C(O)C=C31)C2O
InChI: InChI=1S/C22H20N2O7/c1-9-18-12(14(8-31-9)22(29)30-2)6-15-19-13(7-16(23-15)21(27)28)11-5-10(25)3-4-17(11)24(19)20(18)26/h3-5,7-9,12,18,20,25-26H,6H2,1-2H3,(H,27,28)
InChIKey: UMYUYGCTTATOHK-UHFFFAOYSA-N
Reference
Neoadifolin, a new indole alkaloid from the heartwood ofAdina cordifolia
PubChem CID: 162955410
LOTUS: LTS0055509
COCONUT: CNP0226352.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haldina cordifolia | Haldina | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 424.4090000000001
TPSA？: 131.11
MolLogP？: 2.3483000000000005
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|