(1S,4S,5S,6R,9R,10R,12R,14R)-7-[(acetyloxy)methyl]-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl 2-(2-aminobenzamido)benzoate
AlkaPlorer ID: AK020741
Synonym: None
IUPAC Name: [(1S,4S,5S,6R,9S,10R,12R,14R)-7-(acetyloxymethyl)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] 2-[(2-aminobenzoyl)amino]benzoate
Structure
SMILES: CC(=O)OCC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](OC(=O)C4=CC=CC=C4N=C(O)C4=CC=CC=C4N)[C@@]3(O)[C@@H]1O)[C@H](C)C[C@@H]1[C@H]2C1(C)C
InChI: InChI=1S/C36H40N2O8/c1-18-16-35-19(2)14-25-28(34(25,4)5)24(30(35)41)15-21(17-45-20(3)39)29(40)36(35,44)31(18)46-33(43)23-11-7-9-13-27(23)38-32(42)22-10-6-8-12-26(22)37/h6-13,15-16,19,24-25,28-29,31,40,44H,14,17,37H2,1-5H3,(H,38,42)/t19-,24+,25-,28+,29-,31+,35+,36+/m1/s1
InChIKey: JRZMRXGXGXQDFH-YNXRVEAYSA-N
Reference
Bio-active compounds from Euphorbia cornigera Boiss
PubChem CID: 45271785
LOTUS: LTS0167773
NPASS: NPC108804
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia cornigera | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 628.7220000000001
TPSA？: 168.74
MolLogP？: 4.4692000000000025
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Biomphalaria glabrata | Biomphalaria glabrata | LC50 | 0.0143 | ug.mL-1 | 10.1016/j.ejmech.2009.03.019 |