19,21,24-tris(acetyloxy)-20-[(acetyloxy)methyl]-25-hydroxy-3,13,14,25-tetramethyl-22-[(2-methylpropanoyl)oxy]-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²?.0³,²³.0?,¹²]pentacosa-7,9,11-trien-18-yl pyridine-3-carboxylate
AlkaPlorer ID: AK073216
Synonym: None
IUPAC Name: [19,21,24-triacetyloxy-20-(acetyloxymethyl)-25-hydroxy-3,13,14,25-tetramethyl-22-(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-18-yl] pyridine-3-carboxylate
Structure
SMILES: CC(=O)OCC12C(OC(C)=O)C(OC(=O)C(C)C)C3C(OC(C)=O)C14OC3(C)COC(=O)C1=CC=CN=C1C(C)C(C)C(=O)OC(C(OC(=O)C1=CC=CN=C1)C2OC(C)=O)C4(C)O
InChI: InChI=1S/C44H52N2O18/c1-20(2)37(51)61-31-29-33(58-24(6)48)44-42(10,55)34(63-38(52)22(4)21(3)30-28(14-12-16-46-30)40(54)57-18-41(29,9)64-44)32(62-39(53)27-13-11-15-45-17-27)36(60-26(8)50)43(44,19-56-23(5)47)35(31)59-25(7)49/h11-17,20-22,29,31-36,55H,18-19H2,1-10H3
InChIKey: MSVGGLNVZBBEKQ-UHFFFAOYSA-N
Reference
A sesquiterpene evoninoate alkaloid from the root bark of Celastrus angulatus
PubChem CID: 162928876
LOTUS: LTS0148071
COCONUT: CNP0198666
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Celastrus angulatus | Celastrus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 896.8960000000002
TPSA？: 265.64
MolLogP？: 2.3585000000000043
Number of H-Donors: 1
Number of H-Acceptors: 20
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|