Summary
SMILES: CO[C@@]1(C)CC[C@H]([C@H]2[C@@H]1CCC(=C2)C[C@H]1c2c(OC)c(OC)ccc2-c2c(N1C)c1cc3OCOc3cc1cc2)C(C)CInChI: InChI=1S/C37H45NO5/c1-21(2)24-14-15-37(3,41-7)29-12-8-22(16-28(24)29)17-30-34-25(11-13-31(39-5)36(34)40-6)26-10-9-23-18-32-33(43-20-42-32)19-27(23)35(26)38(30)4/h9-11,13,16,18-19,21,24,28-30H,8,12,14-15,17,20H2,1-7H3/t24-,28-,29-,30-,37-/m0/s1InChIKey: RDACIPRKFVDYFL-YZKIYFLTSA-N
DeepSMILES: CO[C@@]C)CC[C@H][C@H][C@@H]6CCC=C6)C[C@H]ccOC))cOC))ccc6-ccN%10C))cccOCOc5cc9cc%13))))))))))))))))))))))))))CC)C
Scaffold Graph/Node/Bond level: C1=C(CC2Nc3c(ccc4cc5c(cc34)OCO5)-c3ccccc32)CCC2CCCCC12
Scaffold Graph/Node level: C1CCC2CC(CC3NC4C5CC6OCOC6CC5CCC4C4CCCCC34)CCC2C1
Scaffold Graph level: C1CCC2CC(CC3CC4C5CC6CCCC6CC5CCC4C4CCCCC34)CCC2C1
Functional groups: CC(C)=CC; COC; c1cOCO1; cN(C)C; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Benzophenanthridine alkaloids
ClassyFire Subclass: Dihydrobenzophenanthridine alkaloids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Cadinane sesquiterpenoids
Synonymous chemical names:epi-zanthomuurolanine
External chemical identifiers:CID:44567549; ChEMBL:CHEMBL446331; ZINC:ZINC000044307493
Chemical structure download