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CHEBI:181135 - Nakijiquinone P/Q

ChEBI IDCHEBI:181135
ChEBI NameNakijiquinone P/Q
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FormulaC29H37NO3
Net Charge0
Average Mass447.619
Monoisotopic Mass447.27734
SMILESC[C@H]1CC=C2C(CCCC2(C)C)[C@]1(C)CC1=C(O)C(NCCc2ccccc2)=CC(=O)C1=O
InChIInChI=1S/C29H37NO3/c1-19-12-13-22-23(11-8-15-28(22,2)3)29(19,4)18-21-26(32)24(17-25(31)27(21)33)30-16-14-20-9-6-5-7-10-20/h5-7,9-10,13,17,19,23,30,32H,8,11-12,14-16,18H2,1-4H3/t19-,23?,29+/m0/s1
InChIKeyMHCOGFNVFDFUND-SECCUNFJSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nakijiquinone P/Q (CHEBI:181135) is a primary amine (CHEBI:32877)
IUPAC Name 
4-hydroxy-5-(2-phenylethylamino)-3-[[(1R,2S)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]cyclohexa-3,5-diene-1,2-dione