UNPD63079
AlkaPlorer ID: AK355438
Synonym: None
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[[(1R,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-11-oxo-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-15-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Structure
SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(=O)/C=C\C3=CC(OC)=C(O)C(OC)=C3)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCC4=CC(O)=C(O)C=C4[C@H]3C[C@H]21
InChI: InChI=1S/C35H39NO14/c1-4-18-20-12-22-19-13-24(38)23(37)11-17(19)7-8-36(22)33(44)21(20)14-48-34(18)50-35-32(43)31(42)30(41)27(49-35)15-47-28(39)6-5-16-9-25(45-2)29(40)26(10-16)46-3/h4-6,9-11,13-14,18,20,22,27,30-32,34-35,37-38,40-43H,1,7-8,12,15H2,2-3H3/b6-5-/t18-,20+,22-,27-,30-,31+,32-,34+,35+/m1/s1
InChIKey: CKURFXSHGVMIQW-CWNKPMOKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alangium platanifolium | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 697.69
TPSA？: 214.14
MolLogP？: 1.3894999999999988
Number of H-Donors: 6
Number of H-Acceptors: 14
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|