CHEBI:87844 - 2-phytyl-1,4-dihydroxynaphthalene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-phytyl-1,4-dihydroxynaphthalene
ChEBI ID CHEBI:87844
Definition A member of the class of naphthalenediols that is naphthalene-1,4-diol substituted at position 2 by a phytyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C30H46O2
Net Charge 0
Average Mass 438.686
Monoisotopic Mass 438.34978
InChI InChI=1S/C30H46O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29(31)27-17-6-7-18-28(27)30(26)32/h6-7,17-19,21-24,31-32H,8-16,20H2,1-5H3/b25-19+/t23-,24-/m1/s1
InChIKey AEFNZGGBWOQYID-KQPZCCJBSA-N
SMILES C=12C(O)=CC(=C(C1C=CC=C2)O)C\C=C(\CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)/C
ChEBI Ontology
Outgoing 2-phytyl-1,4-dihydroxynaphthalene (CHEBI:87844) has functional parent naphthalene-1,4-diol (CHEBI:34063)
2-phytyl-1,4-dihydroxynaphthalene (CHEBI:87844) is a naphthalenediols (CHEBI:23783)
2-phytyl-1,4-dihydroxynaphthalene (CHEBI:87844) is a naphthohydroquinone (CHEBI:51475)
2-phytyl-1,4-dihydroxynaphthalene (CHEBI:87844) is a olefinic compound (CHEBI:78840)
IUPAC Name
2-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-diol
Synonyms Sources
2-phytylnaphthalene-1,4-diol ChEBI
demethylphylloquinol MetaCyc
demethylphylloquinol UniProt
Manual Xref Database
CPD-12830 MetaCyc
View more database links
Last Modified
31 January 2017