Summary

IMPPAT Phytochemical identifier: IMPHY003346

Phytochemical name: Croalbinecine

Synonymous chemical names:
croalbinecine

External chemical identifiers:
CID:179524

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Chemical structure information

SMILES:
OC[C@@H]1[C@@H](O)CN2[C@H]1[C@H](O)CC2

InChI:
InChI=1S/C8H15NO3/c10-4-5-7(12)3-9-2-1-6(11)8(5)9/h5-8,10-12H,1-4H2/t5-,6-,7+,8-/m1/s1

InChIKey:
HRBZHPMMNALVKR-OOJXKGFFSA-N

DeepSMILES:
OC[C@@H][C@@H]O)CN[C@H]5[C@H]O)CC5

Functional groups:
CN(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCCN2C1

Scaffold Graph/Node level:
C1CC2CCCN2C1

Scaffold Graph level:
C1CC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Indolizidine alkaloids

NP-Likeness score: 1.912

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Chemical structure download