Summary

IMPPAT Phytochemical identifier: IMPHY008616

Phytochemical name: Magnolidin

Synonymous chemical names:
magnolidin

External chemical identifiers:
CID:5477035

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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)O

InChI:
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-N

DeepSMILES:
OCCOCCcccccc6)O))O))))))))OCCC6OCOCC)CCC6O))O))O)))))))O))COCOCC)CCC6O))O))O.OC=O)/C=C/cccccc6)O))O

Functional groups:
CO, COC(C)OC, c/C=C/C(=O)O, cO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire 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

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Chemical structure download