4-Hydroxy-3-methoxycinnamylic alcohol

PubChem CID: 1549094

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Compound Synonyms	cis-coniferyl alcohol, (Z)-Coniferyl Alcohol, ASW5FSM5Z0, Coniferyl alcohol, (Z)-, UNII-ASW5FSM5Z0, 4-[(Z)-3-hydroxyprop-1-enyl]-2-methoxyphenol, bmse010156, 69056-21-9, 4-Hydroxy-3-methoxycinnamylic alcohol, 4-((1Z)-3-Hydroxy-1-propen-1-yl)-2-methoxyphenol, Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-, (Z)-, Phenol, 4-((1Z)-3-hydroxy-1-propen-1-yl)-2-methoxy-, Phenol, 4-(3-hydroxy-1-propen-1-yl)-2-methoxy-, Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-, EINECS 207-277-9, AC1LU7QP, AI3-36149, Coniferyl alcohol, cis, CHEMBL2088631, JMFRWRFFLBVWSI-IHWYPQMZSA-N, AKOS025401152, 4-[(Z)-3-hydroxyprop-1-enyl]-2-methoxy-phenol
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	13.0
Description	Coniferyl alcohol is an intermediate in biosynthesis of eugenol and of stilbene and coumarin. Gum benzoin contains significant amount of coniferyl alcohol and its esters., Coniferyl alcohol is an organic compound. This colourless crystalline solid is a phytochemical, one of the monolignols. It is synthetized via the phenylpropanoid biochemical pathway. When copolymerized with related aromatic compounds, coniferyl alcohol forms lignin or lignans. [HMDB]. Coniferyl alcohol is found in many foods, some of which are canada blueberry, eggplant, winged bean, and flaxseed.
Isotope Atom Count	0.0
Molecular Complexity	168.0
Database Name	cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Enzyme Uniprot Id	P30041
Iupac Name	4-[(Z)-3-hydroxyprop-1-enyl]-2-methoxyphenol
Prediction Hob	1.0
Xlogp	1.4
Molecular Formula	C10H12O3
Prediction Swissadme	0.0
Inchi Key	JMFRWRFFLBVWSI-IHWYPQMZSA-N
Fcsp3	0.2
Logs	-1.146
Rotatable Bond Count	3.0
State	Solid
Logd	1.364
Synonyms	(e) 3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol, 3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-ol, 3-(4-Hydroxy-3-methoxyphenyl)allyl alcohol, 4-((1e)-3-Hydroxy-1-propenyl)-2-methoxyphenol, 4-(3-Hydroxy-1-propenyl)-2-methoxy-phenol, 4-(3-Hydroxy-1-propenyl)-2-methoxyphenol, 4-(3-Hydroxy-1-propenyl)-2-methoxyphenol, 9CI, 4-[(1E)-3-Hydroxy-1-propenyl]-2-methoxyphenol, 4-[(1e)-3-Hydroxyprop-1-en-1-yl]-2-methoxyphenol, 4-Hydroxy-3-methoxycinnamic alcohol, 4-Hydroxy-3-methoxycinnamyl alcohol, Coniferol, Coniferyl alcohol, Coniferyl-alcohol, Coniferylic alcohol, e-Coniferyl alcohol, epsilon-Coniferyl alcohol, gamma-Hydroxyisoeugenol, Lubanol, p-hydroxy-m-methoxycinnamyl alcohol, trans-Coniferyl alcohol
Compound Name	4-Hydroxy-3-methoxycinnamylic alcohol
Prediction Hob Swissadme	0.0
Exact Mass	180.079
Formal Charge	0.0
Monoisotopic Mass	180.079
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	180.2
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	1.0
Esol	-2.2284970615384614
Inchi	InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2-
Smiles	COC1=C(C=CC(=C1)/C=C\CO)O
Nring	1.0
Defined Bond Stereocenter Count	1.0

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4-Hydroxy-3-methoxycinnamylic alcohol

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Phytochemical Properties

Associated Connections 71

Plant Connections 71