Tetracosyl ferulate

PubChem CID: 14238617

Connections displayed (default: 10).

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Compound Synonyms	tetracosyl ferulate, tetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, lignoceryl ferulate, Tetracosyl ferulic acid, CHEMBL4083004, 101927-25-7
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCCCC1
Deep Smiles	CCCCCCCCCCCCCCCCCCCCCCCCOC=O)/C=C/cccccc6)OC)))O
Heavy Atom Count	38.0
Classyfire Class	Cinnamic acids and derivatives
Scaffold Graph Node Level	C1CCCCC1
Classyfire Subclass	Hydroxycinnamic acids and derivatives
Isotope Atom Count	0.0
Molecular Complexity	547.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	tetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Prediction Hob	0.0
Veber Rule	False
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	13.9
Gsk 4 400 Rule	False
Molecular Formula	C34H58O4
Scaffold Graph Node Bond Level	c1ccccc1
Prediction Swissadme	0.0
Inchi Key	VUUWEVURXOCTGG-BYCLXTJYSA-N
Silicos It Class	Insoluble
Fcsp3	0.7352941176470589
Rotatable Bond Count	27.0
Synonyms	lignoceryl ferulate, tetracosyl ferulate
Esol Class	Insoluble
Functional Groups	c/C=C/C(=O)OC, cO, cOC
Compound Name	Tetracosyl ferulate
Prediction Hob Swissadme	0.0
Exact Mass	530.434
Formal Charge	0.0
Monoisotopic Mass	530.434
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	530.8
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	False
Esol	-10.235612905263162
Inchi	InChI=1S/C34H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-34(36)28-26-31-25-27-32(35)33(30-31)37-2/h25-28,30,35H,3-24,29H2,1-2H3/b28-26+
Smiles	CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC
Defined Bond Stereocenter Count	1.0
Egan Rule	False

1. Outgoing r'ship FOUND_IN to/from Arnebia Benthamii (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Arnebia Decumbens (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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7. Outgoing r'ship FOUND_IN to/from Castanopsis Lanceifolia (Plant) Rel Props:Reference:ISBN:9788185042084
8. Outgoing r'ship FOUND_IN to/from Duabanga Grandiflora (Plant) Rel Props:Reference:ISBN:9788172360481
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90. Outgoing r'ship FOUND_IN to/from Rhizomnium Magnifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
91. Outgoing r'ship FOUND_IN to/from Rhizomnium Pseudopunctatum (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Vanda Tessellata (Plant) Rel Props:Reference:ISBN:9788172362140

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Tetracosyl ferulate

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Phytochemical Properties

Associated Connections 92

Plant Connections 92