Summary

IMPPAT Phytochemical identifier: IMPHY001554

Phytochemical name: Tetrahydrorhombifoline

Synonymous chemical names:
tetrahydrorhombifoline

External chemical identifiers:
CID:15511175, ChEMBL:CHEMBL460224

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Chemical structure information

SMILES:
C=CCCN1C[C@H]2C[C@@H](C1)[C@@H]1N(C2)C(=O)CCC1

InChI:
InChI=1S/C15H24N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,12-14H,1,3-11H2/t12-,13+,14-/m1/s1

InChIKey:
OKTIETCHYDTVGN-HZSPNIEDSA-N

DeepSMILES:
C=CCCNC[C@H]C[C@@H]C6)[C@@H]NC6)C=O)CCC6

Functional groups:
C=CC, CC(=O)N(C)C, CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2C3CNCC(C3)CN12

Scaffold Graph/Node level:
OC1CCCC2C3CNCC(C3)CN12

Scaffold Graph level:
CC1CCCC2C3CCCC(C3)CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolizidines

ClassyFire Subclass: Quinolizidinones

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 0.615

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Chemical structure download