Cadambine; Parent acid
AlkaPlorer ID: AK120796
Synonym: Cadambine acid
IUPAC Name: 17-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,23-dioxa-3,13-diazahexacyclo[13.7.1.01,13.02,10.04,9.016,21]tricosa-2(10),4,6,8,19-pentaene-20-carboxylic acid
Structure
SMILES: O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C3CN4CCC5=C(NC6=CC=CC=C56)C4(CC12)O3
InChI: InChI=1S/C26H30N2O10/c29-9-17-19(30)20(31)21(32)25(36-17)37-24-18-13(14(10-35-24)23(33)34)7-26-22-12(5-6-28(26)8-16(18)38-26)11-3-1-2-4-15(11)27-22/h1-4,10,13,16-21,24-25,27,29-32H,5-9H2,(H,33,34)
InChIKey: HSPUKYMHISVQNU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nauclea diderrichii | Nauclea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 530.5300000000003
TPSA？: 174.17000000000002
MolLogP？: -0.6449999999999974
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|