methyl 17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazahexacyclo[13.7.1.0¹,¹³.0²,¹?.0?,?.0¹?,²¹]tricosa-2(10),4,6,8,19-pentaene-20-carboxylate
AlkaPlorer ID: AK319951
Synonym: None
IUPAC Name: methyl (21S)-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18-oxa-3,13-diazahexacyclo[13.7.1.01,13.02,10.04,9.016,21]tricosa-2(10),4,6,8,19-pentaene-20-carboxylate
Structure
SMILES: COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2C3CN4CCC5=C(NC6=CC=CC=C56)C4(C3)C[C@H]12
InChI: InChI=1S/C28H34N2O9/c1-36-25(35)17-12-37-26(39-27-23(34)22(33)21(32)19(11-31)38-27)20-13-8-28(9-16(17)20)24-15(6-7-30(28)10-13)14-4-2-3-5-18(14)29-24/h2-5,12-13,16,19-23,26-27,29,31-34H,6-11H2,1H3/t13?,16-,19-,20?,21-,22+,23-,26?,27+,28?/m1/s1
InChIKey: MMFFLLFNTUNPOB-UPLKNJQJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Liriodendron tulipifera | Liriodendron | Magnoliaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Uncaria rhynchophylla | Uncaria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 542.5850000000002
TPSA？: 153.94000000000003
MolLogP？: 0.1070000000000019
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|