3alpha-5alpha-tetrahydrodeoxycordifoline lactam
AlkaPlorer ID: AK061035
Synonym: None
IUPAC Name: (1S,12S,18S,19R,20S)-19-ethenyl-14-oxo-18-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid
Structure
SMILES: C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)N3[C@H](C(=O)O)CC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]21
InChI: InChI=1S/C27H30N2O10/c1-2-11-13-7-17-20-14(12-5-3-4-6-16(12)28-20)8-18(25(35)36)29(17)24(34)15(13)10-37-26(11)39-27-23(33)22(32)21(31)19(9-30)38-27/h2-6,10-11,13,17-19,21-23,26-28,30-33H,1,7-9H2,(H,35,36)/t11-,13+,17+,18+,19+,21+,22-,23+,26+,27-/m1/s1
InChIKey: YUCVPZILWXKQCX-HGSXXTALSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nauclea diderrichii | Nauclea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 542.5410000000003
TPSA？: 182.01
MolLogP？: -0.0742999999999982
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|