None
AlkaPlorer ID: AK336668
Synonym: None
IUPAC Name: (1R,4S,5S,7S,9S,13S,15R)-7,13,15-trihydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)oxan-2-yl]oxycarbonyl-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Structure
SMILES: C=C1[C@H](O)[C@@]23CC[C@@H]4[C@@](C(=O)O)(C(=O)OC5OC(CO)C(O)C(OC(=O)CCC6=CC=CC=C6)C5N=C(O)CC(C)C)C[C@@H](O)C[C@@]4(C)C2CC[C@]1(O)C3
InChI: InChI=1S/C40H55NO13/c1-21(2)16-28(44)41-30-32(53-29(45)11-10-23-8-6-5-7-9-23)31(46)25(19-42)52-34(30)54-36(50)40(35(48)49)18-24(43)17-37(4)26-13-15-39(51)20-38(26,14-12-27(37)40)33(47)22(39)3/h5-9,21,24-27,30-34,42-43,46-47,51H,3,10-20H2,1-2,4H3,(H,41,44)(H,48,49)/t24-,25?,26?,27-,30?,31?,32?,33-,34?,37-,38+,39-,40-/m0/s1
InChIKey: ATJJMRQRAXPQCY-XRDZNUOWSA-N
Reference
Isolation of a New Potential Antitumor Compound From Wedelia asperrima
PubChem CID: 5352049
LOTUS: LTS0189926
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Wedelia asperrima | Wedelia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 757.8739999999999
TPSA？: 232.87
MolLogP？: 2.613800000000003
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|