Summary

IMPPAT Phytochemical identifier: IMPHY005596

Phytochemical name: Fulvoplumierin

Synonymous chemical names:
fulvoplumierin, pigment 5'-carbomethoxy-3',4',1,2-cumalino-ω-propenylfulvene (fulvoplumierin)

External chemical identifiers:
CID:5281541, ChEMBL:CHEMBL445545, ChEBI:5188, ZINC:ZINC000001531581, FDASRS:88W5O194BU, SureChEMBL:SCHEMBL436269

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Chemical structure information

SMILES:
C/C=C/C=C/1C=Cc2c1c(=O)occ2C(=O)OC

InChI:
InChI=1S/C14H12O4/c1-3-4-5-9-6-7-10-11(13(15)17-2)8-18-14(16)12(9)10/h3-8H,1-2H3/b4-3+,9-5+

InChIKey:
RFUJEBHESHKXKW-PRKJJMSOSA-N

DeepSMILES:
C/C=C/C=CC=Ccc5c=O)occ6C=O)OC

Functional groups:
C/C=C/C=C1C=Ccc1, c=O, cC(=O)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=Cc2ccoc(=O)c21

Scaffold Graph/Node level:
CC1CCC2CCOC(O)C12

Scaffold Graph level:
CC1CCCC2CCC(C)C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrans

ClassyFire Subclass: Pyranones and derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 1.557

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Chemical structure download