Summary
IMPPAT Phytochemical identifier: IMPHY008616
Phytochemical name: Magnolidin
Synonymous chemical names:magnolidin
External chemical identifiers:CID:5477035
Chemical structure information
SMILES:
OC1C(OCCc2ccc(c(c2)O)O)OC(C(C1OC1OC(C)C(C(C1O)O)O)O)COC1OC(C)C(C(C1O)O)O.OC(=O)/C=C/c1ccc(c(c1)O)OInChI:
InChI=1S/C26H40O16.C9H8O4/c1-9-15(29)18(32)20(34)24(39-9)38-8-14-17(31)23(42-26-21(35)19(33)16(30)10(2)40-26)22(36)25(41-14)37-6-5-11-3-4-12(27)13(28)7-11;10-7-3-1-6(5-8(7)11)2-4-9(12)13/h3-4,7,9-10,14-36H,5-6,8H2,1-2H3;1-5,10-11H,(H,12,13)/b;4-2+InChIKey:
NGCYQXCANCVPJY-QGLCECKVSA-NDeepSMILES:
OCCOCCcccccc6)O))O))))))))OCCC6OCOCC)CCC6O))O))O)))))))O))COCOCC)CCC6O))O))O.OC=O)/C=C/cccccc6)O))OFunctional groups:
CO, COC(C)OC, c/C=C/C(=O)O, cO
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic oxygen compoundsClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Carbohydrates and carbohydrate conjugates
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Phenylethanoids (C6-C2), Phenylpropanoids (C6-C3)
NP Classifier Class: Cinnamic acids and derivatives, Phenylethanoids
NP-Likeness score: 1.393
Chemical structure download
