Summary

IMPPAT Phytochemical identifier: IMPHY000260

Phytochemical name: Flabelliformine

Synonymous chemical names:
flabelliformine

External chemical identifiers:
CID:101844701

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Chemical structure information

SMILES:
COCc1c([nH]c2c1cccc2)C(=C)C1CCN(C/C/1=C/C)C(=O)OC

InChI:
InChI=1S/C21H26N2O3/c1-5-15-12-23(21(24)26-4)11-10-16(15)14(2)20-18(13-25-3)17-8-6-7-9-19(17)22-20/h5-9,16,22H,2,10-13H2,1,3-4H3/b15-5-

InChIKey:
WNPGPJRHDMTHIO-WCSRMQSCSA-N

DeepSMILES:
COCcc[nH]cc5cccc6)))))))C=C)CCCNC/C/6=C/C))))C=O)OC

Functional groups:
C/C=C(C)C, COC, COC(=O)N(C)C, cC(=C)C, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CNCCC1C(=C)c1cc2ccccc2[nH]1

Scaffold Graph/Node level:
CC1CNCCC1C(C)C1CC2CCCCC2N1

Scaffold Graph level:
CC1CCCCC1C(C)C1CC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: -0.056

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Chemical structure download