Summary
SMILES: CN1C[C@]23[C@@H]([C@@H]1C)CC[C@H]3[C@H]1[C@H](CC2)[C@@]2(C)CCCCC2CC1InChI: InChI=1S/C22H37N/c1-15-18-9-10-20-17-8-7-16-6-4-5-12-21(16,2)19(17)11-13-22(18,20)14-23(15)3/h15-20H,4-14H2,1-3H3/t15-,16?,17+,18+,19-,20-,21-,22-/m0/s1InChIKey: ICKQFGPZAUSMPE-PFKVMXGZSA-N
DeepSMILES: CNC[C@@][C@@H][C@@H]5C))CC[C@H]5[C@H][C@H]CC9))[C@@]C)CCCCC6CC%10
Scaffold Graph/Node/Bond level: C1CCC2C(C1)CCC1C2CCC23CNCC2CCC13
Scaffold Graph/Node level: C1CCC2C(C1)CCC1C2CCC23CNCC2CCC13
Scaffold Graph level: C1CCC2C(C1)CCC1C2CCC23CCCC2CCC13
Functional groups: CN(C)C
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Steroids and steroid derivatives
ClassyFire Subclass: Steroidal alkaloids
NP Classifier Biosynthetic pathway: Alkaloids|Terpenoids
NP Classifier Superclass: Steroids|Pseudoalkaloids
NP Classifier Class: Pregnane steroids|Steroidal alkaloids
Synonymous chemical names:conanine
External chemical identifiers:CID:6857491; ChEBI:35655
Chemical structure download