Summary

IMPPAT Phytochemical identifier: IMPHY000251

Phytochemical name: Sativanine F

Synonymous chemical names:
sativanine f

External chemical identifiers:
CID:102156891

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Chemical structure information

SMILES:
O=CNC(C(=O)NC(C(=O)N1CCC2C1C(=O)NC(Cc1ccccc1)C(=O)N/C=Cc1cc(O2)ccc1OC)C(C)C)C(C)C

InChI:
InChI=1S/C34H43N5O7/c1-20(2)28(36-19-40)32(42)38-29(21(3)4)34(44)39-16-14-27-30(39)33(43)37-25(17-22-9-7-6-8-10-22)31(41)35-15-13-23-18-24(46-27)11-12-26(23)45-5/h6-13,15,18-21,25,27-30H,14,16-17H2,1-5H3,(H,35,41)(H,36,40)(H,37,43)(H,38,42)/b15-13-

InChIKey:
IQWBDDWQXYWYTP-SQFISAMPSA-N

DeepSMILES:
O=CNCC=O)NCC=O)NCCCC5C=O)NCCcccccc6)))))))C=O)N/C=CcccO%13)ccc6OC)))))))))))))))))))))CC)C)))))CC)C

Functional groups:
CC(=O)N(C)C, CNC(C)=O, CNC=O, c/C=C/NC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NC=Cc2cccc(c2)OC2CCNC2C(=O)NC1Cc1ccccc1

Scaffold Graph/Node level:
OC1NCCC2CCCC(C2)OC2CCNC2C(O)NC1CC1CCCCC1

Scaffold Graph level:
CC1CCCC2CCCC(C2)CC2CCCC2C(C)CC1CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Alkaloids, Amino acids and Peptides

NP Classifier Superclass: Peptide alkaloids

NP Classifier Class: Ansa peptide alkaloids

NP-Likeness score: 1.117

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Chemical structure download