[(1S,3R,16S,18S,19R,20R,21R,22S,23R,24R,25R,26R)-19,20,22,23,25-pentakis(acetyloxy)-26-hydroxy-3,16,26-trimethyl-6,15-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7(12),8,10-trien-21-yl]methyl acetate
AlkaPlorer ID: AK456375
Synonym: None
IUPAC Name: (19,20,22,23,25-pentaacetyloxy-26-hydroxy-3,16,26-trimethyl-6,15-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl)methyl acetate
Structure
SMILES: CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)C1=CC=CN=C1CCC(=O)C(C)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O
InChI: InChI=1S/C38H47NO18/c1-17-26(46)13-12-25-24(11-10-14-39-25)34(47)50-15-35(8)27-28(52-19(3)41)32(55-22(6)44)37(16-49-18(2)40)33(56-23(7)45)29(53-20(4)42)31(51-17)36(9,48)38(37,57-35)30(27)54-21(5)43/h10-11,14,17,27-33,48H,12-13,15-16H2,1-9H3
InChIKey: MKBQPQRKKGIVKB-UHFFFAOYSA-N
Reference
Anti-inflammatory and immunosuppressive compounds from Tripterygium wilfordii
PubChem CID: 162920042
LOTUS: LTS0188120
COCONUT: CNP0189445.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tripterygium wilfordii | Tripterygium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 805.7830000000002
TPSA？: 252.75
MolLogP？: 0.6575000000000055
Number of H-Donors: 1
Number of H-Acceptors: 19
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|