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
Chemical structure information
SMILES:
C/C=C/C=C/1C=Cc2c1c(=O)occ2C(=O)OCInChI:
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-NDeepSMILES:
C/C=C/C=CC=Ccc5c=O)occ6C=O)OCFunctional groups:
C/C=C/C=C1C=Ccc1, c=O, cC(=O)OC, coc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1C=Cc2ccoc(=O)c21Scaffold Graph/Node level:
CC1CCC2CCOC(O)C12Scaffold Graph level:
CC1CCCC2CCC(C)C12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organoheterocyclic compoundsClassyFire 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
Chemical structure download
