Rubenine
AlkaPlorer ID: AK242138
Synonym: None
IUPAC Name: methyl 13-oxo-17-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14,18-dioxa-3,23-diazahexacyclo[13.7.2.02,10.04,9.012,23.016,21]tetracosa-2(10),4,6,8,19-pentaene-20-carboxylate
Structure
SMILES: COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C3CN4C(CC5=C(NC6=CC=CC=C56)C4CC12)C(=O)O3
InChI: InChI=1S/C28H32N2O11/c1-37-25(35)14-10-38-27(41-28-24(34)23(33)22(32)19(9-31)40-28)20-12(14)6-16-21-13(11-4-2-3-5-15(11)29-21)7-17-26(36)39-18(20)8-30(16)17/h2-5,10,12,16-20,22-24,27-29,31-34H,6-9H2,1H3
InChIKey: BWFRUHLJKZUWMA-UHFFFAOYSA-N
Reference
Adina alkaloids: the structure of rubenine
PubChem CID: 73833924
LOTUS: LTS0247203
COCONUT: CNP0201919
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Adina | Hesperiidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 572.5670000000002
TPSA？: 180.24
MolLogP？: -0.7730999999999961
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|