Methyl cis-p-coumarate 3-(3,7-dimethyl-2,6-octadienyl)

PubChem CID: 51349869

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Compound Synonyms	Methyl cis-p-coumarate 3-(3,7-dimethyl-2,6-octadienyl), methyl (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-enoate, CHEMBL2334419, CHEBI:191792, methyl (2E)-3-(4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-enoate
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	23.0
Description	Constituent of Boronia megastigma (brown boronia)
Isotope Atom Count	0.0
Molecular Complexity	434.0
Database Name	cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	methyl (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-enoate
Prediction Hob	1.0
Class	Cinnamic acids and derivatives
Xlogp	5.5
Superclass	Phenylpropanoids and polyketides
Subclass	Cinnamic acid esters
Molecular Formula	C20H26O3
Prediction Swissadme	0.0
Inchi Key	KSSYIBXTLHIBBX-OZZAOFPBSA-N
Fcsp3	0.35
Logs	-5.826
Rotatable Bond Count	9.0
Logd	4.551
Synonyms	Methyl (Z)-3-(4-hydroxyphenyl)-2-propenoic acid O-(3,7-dimethyl-2,6-octadienyl), Methyl cis-p-coumarate 3-(3,7-dimethyl-2,6-octadienyl), Methyl cis-p-coumaroate 3-(3,7-dimethyl-2,6-octadienyl), Methyl cis-p-coumaroate 3-O-(3,7-dimethyl-2,6-octadienyl)
Substituent Name	Cinnamic acid ester, Monoterpenoid, Monocyclic monoterpenoid, Aromatic monoterpenoid, Phenylpropene, Styrene, Phenol ether, Fatty acid ester, Alkyl aryl ether, Fatty acyl, Benzenoid, Monocyclic benzene moiety, Alpha,beta-unsaturated carboxylic ester, Enoate ester, Methyl ester, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound
Compound Name	Methyl cis-p-coumarate 3-(3,7-dimethyl-2,6-octadienyl)
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	314.188
Formal Charge	0.0
Monoisotopic Mass	314.188
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	314.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	2.0
Esol	-4.8723784782608694
Inchi	InChI=1S/C20H26O3/c1-16(2)6-5-7-17(3)14-15-23-19-11-8-18(9-12-19)10-13-20(21)22-4/h6,8-14H,5,7,15H2,1-4H3/b13-10+,17-14+
Smiles	CC(=CCC/C(=C/COC1=CC=C(C=C1)/C=C/C(=O)OC)/C)C
Nring	1.0
Defined Bond Stereocenter Count	2.0

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61. Outgoing r'ship FOUND_IN to/from Helichrysum Davenportii (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Helichrysum Dendroideum (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Helichrysum Drakensbergense (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Helichrysum Fulvum (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Helichrysum Graveolens (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Helichrysum Italicum (Plant) Rel Props:Source_db:npass_chem_all
67. Outgoing r'ship FOUND_IN to/from Helichrysum Lepidissimum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Helichrysum Lindleyi (Plant) Rel Props:Reference:
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76. Outgoing r'ship FOUND_IN to/from Helichrysum Tenuifolium (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Helichrysum Zeyheri (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Hypoestes Purpurea (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Ilex Purpurea (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Ipomoea Purpurea (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Jacaranda Acutifolia (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Jacaranda Caucana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
84. Outgoing r'ship FOUND_IN to/from Jacaranda Chelonia (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Jacaranda Mimosifolia (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Libanothamnus Occultus (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Licania Pittieri (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Markhamia Lutea (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Melicope Triphylla (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Nelumbo Lutea (Plant) Rel Props:Reference:
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96. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
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98. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
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207. Outgoing r'ship FOUND_IN to/from Solanum Xanthocarpum (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Stevia Purpurea (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Striga Lutea (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Tephorisa Purpurea (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Tephrosia Purpurea (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Teucrium Alyssifolium (Plant) Rel Props:Reference:
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218. Outgoing r'ship FOUND_IN to/from Teucrium Cossonii (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Teucrium Depressum (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Teucrium Fragile (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Teucrium Fruticans (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Teucrium Heterophyllum (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Teucrium Lanigerum (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Teucrium Leucocladum (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Teucrium Marum (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Teucrium Montanum (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Teucrium Nuchense (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Teucrium Orientale (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Teucrium Oxylepis (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Teucrium Pernyi (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Teucrium Pestalozzae (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Teucrium Pilosum (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Teucrium Polium (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Teucrium Quadrifarium (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Teucrium Scordium (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Teucrium Scorodonia (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Teucrium Viscidum (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Teucrium Yemense (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Verbena Triphylla (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:

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Grayu

Methyl cis-p-coumarate 3-(3,7-dimethyl-2,6-octadienyl)

Graph

Phytochemical Properties

Associated Connections 243

Plant Connections 243