Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010606

Phytochemical name: Fulvanine A

Synonymous chemical names:
fulvanine a

External chemical identifiers:
CID:CID_14779023

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Chemical structure information

SMILES:
OCC1=CCOC1N1[C@H](O)C[C@H](C1=O)O

InChI:
InChI=1S/C9H13NO5/c11-4-5-1-2-15-9(5)10-7(13)3-6(12)8(10)14/h1,6-7,9,11-13H,2-4H2/t6-,7-,9?/m1/s1

InChIKey:
UQDNRNARHGVYKC-UMPGHQJDSA-N

DeepSMILES:
OCC=CCOC5N[C@H]O)C[C@H]C5=O))O

Functional groups:
CO, CC1=CCOC1N1C(=O)CC[C@H]1O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCN1C1C=CCO1

Scaffold Graph/Node level:
OC1CCCN1C1CCCO1

Scaffold Graph level:
CC1CCCC1C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolidines

ClassyFire Subclass: N-alkylpyrrolidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolidine alkaloids

NP-Likeness score: 1.725

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Chemical structure download