Summary
SMILES: COc1cc2c(cc1OC)C(=O)O[C@H]1[C@@H]2[C@H]2C(=CC1)CC[N+]2([O-])CInChI: InChI=1S/C18H21NO5/c1-19(21)7-6-10-4-5-13-16(17(10)19)11-8-14(22-2)15(23-3)9-12(11)18(20)24-13/h4,8-9,13,16-17H,5-7H2,1-3H3/t13-,16-,17-,19?/m1/s1InChIKey: LAEQLQRWNDLBBU-KNFXUPHZSA-N
DeepSMILES: COcccccc6OC))))C=O)O[C@H][C@@H]6[C@H]C=CC6))CC[N+]5[O-])C
Scaffold Graph/Node/Bond level: O=C1OC2CC=C3CC[NH2+]C3C2c2ccccc21
Scaffold Graph/Node level: OC1OC2CCC3CCNC3C2C2CCCCC12
Scaffold Graph level: CC1CC2CCC3CCCC3C2C2CCCCC12
Functional groups: CC=C(C)C; C[N+](C)(C)[O-]; cC(=O)OC; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Amaryllidaceae alkaloids
ClassyFire Subclass: Homolycorine-type amaryllidaceae alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids|Lysine alkaloids
NP Classifier Class: Indolizidine alkaloids|Amarylidaceae alkaloids
Synonymous chemical names:homolycorine n-oxide
External chemical identifiers:CID:14109783; ZINC:ZINC000014583801
Chemical structure download