Putterine B
AlkaPlorer ID: AK001864
Synonym: None
IUPAC Name: [(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,24-diacetyloxy-20-(acetyloxymethyl)-21,25-dihydroxy-3,13,14,25-tetramethyl-18-(2-methylpropanoyloxy)-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-22-yl] pyridine-3-carboxylate
Structure
SMILES: C[C@H]1[C@@H](C(=O)O[C@H]2[C@@H]([C@@H]([C@]3([C@@H]([C@@H]([C@@H]4[C@H]([C@@]3([C@@]2(C)O)O[C@]4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)OC(=O)C6=CN=CC=C6)O)COC(=O)C)OC(=O)C)OC(=O)C(C)C)C
InChI: InChI=1S/C42H50N2O17/c1-19(2)35(49)59-30-33-40(9,53)42-32(56-23(6)46)27(39(8,61-42)17-55-38(52)26-13-11-15-44-28(26)20(3)21(4)36(50)60-33)29(58-37(51)25-12-10-14-43-16-25)31(48)41(42,18-54-22(5)45)34(30)57-24(7)47/h10-16,19-21,27,29-34,48,53H,17-18H2,1-9H3/t20-,21-,27+,29+,30-,31+,32+,33-,34-,39-,40-,41+,42-/m0/s1
InChIKey: LFMFNBWWKOCWIC-MPFJVGBGSA-N
Reference
Dihydroagarofuran Sesquiterpene Alkaloids from Maytenus putterlickoides
PubChem CID: 44584793
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celastrus rugosus | Celastrus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 854.8590000000002
TPSA？: 259.56999999999994
MolLogP？: 1.787700000000003
Number of H-Donors: 2
Number of H-Acceptors: 19
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia | Artemia | Activity | None | None | 10.1021/np010041o |
| None | Unchecked | Inhibition | None | % | 10.1021/np010041o |