Salicifoline

PubChem CID: 160877

Connections displayed (default: 10).

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Compound Synonyms	Salicifoline, 6882-07-1, 2-(3-hydroxy-4-methoxyphenyl)ethyl-trimethylazanium, Benzeneethanaminium, 3-hydroxy-4-methoxy-N,N,N-trimethyl-, DTXSID20218923, 3-Hydroxy-4-methoxy-N,N,N-trimethylbenzeneethanaminium, 2-(3-hydroxy-4-methoxyphenyl)-N,N,N-trimethylethan-1-aminium, CHEBI:80899, DTXCID70141414, AKOS040753901, C17063, Q27151397
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCCCC1
Np Classifier Class	Phenylethylamines
Deep Smiles	COcccccc6O)))CC[N+]C)C)C
Heavy Atom Count	15.0
Classyfire Class	Phenols
Scaffold Graph Node Level	C1CCCCC1
Classyfire Subclass	Methoxyphenols
Isotope Atom Count	0.0
Molecular Complexity	189.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	2-(3-hydroxy-4-methoxyphenyl)ethyl-trimethylazanium
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Benzenoids
Xlogp	1.2
Gsk 4 400 Rule	True
Molecular Formula	C12H20NO2+
Scaffold Graph Node Bond Level	c1ccccc1
Prediction Swissadme	1.0
Inchi Key	REIMFKRWHOKOHQ-UHFFFAOYSA-O
Silicos It Class	Soluble
Fcsp3	0.5
Logs	0.64
Rotatable Bond Count	4.0
Logd	3.709
Synonyms	salicifoline
Esol Class	Very soluble
Functional Groups	C[N+](C)(C)C, cO, cOC
Compound Name	Salicifoline
Prediction Hob Swissadme	0.0
Exact Mass	210.149
Formal Charge	1.0
Monoisotopic Mass	210.149
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	210.29
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-1.7491413999999998
Inchi	InChI=1S/C12H19NO2/c1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10/h5-6,9H,7-8H2,1-4H3/p+1
Smiles	C[N+](C)(C)CCC1=CC(=C(C=C1)OC)O
Nring	1.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Tyrosine alkaloids

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72. Outgoing r'ship FOUND_IN to/from Magnolia Champaca (Plant) Rel Props:Reference:ISBN:9780387706375
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149. Outgoing r'ship FOUND_IN to/from Zephyranthes Grandiflora (Plant) Rel Props:Reference:

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Salicifoline

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Phytochemical Properties

Associated Connections 149

Plant Connections 149