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cephaeline

Properties

Image

Occurences in reactions

MNX_ID

MNXM10905

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₈H₃₈N₂O₄

charge

mass

466.28316

reference

chebi:3533

InChIKey

DTGZHCFJNDAHEN-OZEXIGSWSA-N

InChI

InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1

SMILES

CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3533 chebi:3533	cephaeline 7',10,11-trimethoxyemetan-6'-ol Cephaelin Cephaeline
kegg.compound:C09390 keggC:C09390	Cephaeline
seed.compound:cpd06285 seedM:cpd06285	Cephaeline cephaeline
metacyc.compound:CPD-14816 metacycM:CPD-14816	cephaeline
keggC:M_C09390 seedM:M_cpd06285	secondary/obsolete/fantasy identifier