Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002881

Phytochemical name: Tropine

Synonymous chemical names:
psi-tropine, Pseudotropine, Tropine, tropine, pseudotropine, tropanol

External chemical identifiers:
CID:CID_449293, ChEMBL:CHEMBL1356617, ZINC:ZINC000000158421, SureChEMBL:SCHEMBL64824, MolPort-018-617-152

---

Chemical structure information

SMILES:
OC1C[C@@H]2CC[C@H](C1)N2C

InChI:
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?

InChIKey:
CYHOMWAPJJPNMW-DHBOJHSNSA-N

DeepSMILES:
OCC[C@@H]CC[C@H]C7)N5C

Functional groups:
CO, CN(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC(C1)N2

Scaffold Graph/Node level:
C1CC2CCC(C1)N2

Scaffold Graph level:
C1CC2CCC(C1)C2

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Tropane alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Tropane alkaloids

NP-Likeness score: 1.013

---

Chemical structure download