Tetracyclic-triterpene-1
Compound 1 is a triterpene-type steroidal alkaloid synthesized from N-3-isobutyrylcycloxobuxidine-F 2 isolated from Buxus balearica Willd close to Betulinic-acid derived from buxidine
General
Type : Terpenoid,Natural_modified
Chemical_Nomenclature : (3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimethylamino)ethyl]-8-hydroxy-6,10,15-trimethyl-18-propan-2-yl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1(22),18-dien-4-one
Canonical SMILES : CC(C)C1=NC2CC=C3CC4C(CCC3C2(CO1)C)C5(CC(C(C5(CC4=O)C)C(C)N(C)C)O)C
InChI : InChI=1S\/C30H48N2O3\/c1-17(2)27-31-25-12-9-19-13-20-22(11-10-21(19)28(25,4)16-35-27)29(5)15-24(34)26(18(3)32(7)8)30(29,6)14-23(20)33\/h9,17-18,20-22,24-26,34H,10-16H2,1-8H3\/t18-,20+,21+,22+,24+,25-,26-,28-,29-,30+\/m0\/s1
InChIKey : AICOOMRHRUFYCM-ZRRPKQBOSA-N
Other name(s) : oxazine, 1,Steroid 1,Compound 1,SCHEMBL10134841,BDBM19101
MW : 484.7
Formula : C30H48N2O3
CAS_number :
PubChem : 23648182
UniChem : AICOOMRHRUFYCM-ZRRPKQBOSA-N
IUPHAR :
Wikipedia :
Target
Families : Tetracyclic-triterpene-1 ligand of proteins in family: ACHE
Stucture :
Protein : human-ACHE
References (2)
| Title : New potent human acetylcholinesterase inhibitors in the tetracyclic triterpene series with inhibitory potency on amyloid beta aggregation - Rouleau_2011_Eur.J.Med.Chem_46_2193 |
| Author(s) : Rouleau J , Iorga BI , Guillou C |
| Ref : Eur Journal of Medicinal Chemistry , 46 :2193 , 2011 |
| Abstract : Rouleau_2011_Eur.J.Med.Chem_46_2193 |
| ESTHER : Rouleau_2011_Eur.J.Med.Chem_46_2193 |
| PubMedSearch : Rouleau_2011_Eur.J.Med.Chem_46_2193 |
| PubMedID: 21435752 |
| Title : New potent acetylcholinesterase inhibitors in the tetracyclic triterpene series - Sauvaitre_2007_J.Med.Chem_50_5311 |
| Author(s) : Sauvaitre T , Barlier M , Herlem D , Gresh N , Chiaroni A , Guenard D , Guillou C |
| Ref : Journal of Medicinal Chemistry , 50 :5311 , 2007 |
| Abstract : Sauvaitre_2007_J.Med.Chem_50_5311 |
| ESTHER : Sauvaitre_2007_J.Med.Chem_50_5311 |
| PubMedSearch : Sauvaitre_2007_J.Med.Chem_50_5311 |
| PubMedID: 17902635 |