Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008352

Phytochemical name: Homofluorodaturatine

Synonymous chemical names:
Homofluorodaturatine, homofluorodaturatine

External chemical identifiers:
CID:CID_137208361

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Chemical structure information

SMILES:
Oc1ccc2c(c1)n1CCCC(=O)C3=NCCc2c13

InChI:
InChI=1S/C15H14N2O2/c18-9-3-4-10-11-5-6-16-14-13(19)2-1-7-17(15(11)14)12(10)8-9/h3-4,8,18H,1-2,5-7H2

InChIKey:
PRFYJVUGPBOVNH-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)nCCCC=O)C=NCCc%12c%116

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCn2c3c(c4ccccc42)CCN=C13

Scaffold Graph/Node level:
OC1CCCN2C3CCCCC3C3CCNC1C32

Scaffold Graph level:
CC1CCCC2C3CCCCC3C3CCCC1C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Pyridoindoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 0.615

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Chemical structure download