Summary

IMPPAT Phytochemical identifier: IMPHY004412

Phytochemical name: Noracronycine

Synonymous chemical names:
nor-acronycine, noracronycine

External chemical identifiers:
CID:5320199, ChEMBL:CHEMBL509922, ZINC:ZINC000005447705, FDASRS:O4TQA37UF4, SureChEMBL:SCHEMBL7475179, MolPort-047-605-666

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Chemical structure information

SMILES:
Oc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c(n2C)cccc1

InChI:
InChI=1S/C19H17NO3/c1-19(2)9-8-12-15(23-19)10-14(21)16-17(12)20(3)13-7-5-4-6-11(13)18(16)22/h4-10,21H,1-3H3

InChIKey:
CBXBWBNEFPNSDO-UHFFFAOYSA-N

DeepSMILES:
OcccOCC)C)C=Cc6cc%10c=O)ccn6C))cccc6

Functional groups:
c=O, cC=CC, cO, cOC, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2c3c(ccc12)OCC=C3

Scaffold Graph/Node level:
OC1C2CCCCC2NC2C3CCCOC3CCC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCCC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Acridone alkaloids

NP-Likeness score: 1.9

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Chemical structure download