Amiloxate
PubChem CID: 1549789
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| Compound Synonyms | Amiloxate, 71617-10-2, Isoamyl 4-methoxycinnamate, Isoamyl p-methoxycinnamate, ISOPENTYL-4-METHOXYCINNAMATE, Isopentyl 3-(4-methoxyphenyl)acrylate, Isopentyl p-methoxycinnamate, Amiloxate [USAN], Isopentyl 4-methoxycinnamate, ISOAMYL METHOXYCINNAMATE, Amiloxato, isoamyl-p-methoxycinnamate, NSC-408332, 155339-66-5, 3-methylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate, 376KTP06K8, AMILOXATE [INN], AMILOXATE [MI], E-1000, 4-Methoxycinnamic acid, isoamyl ester, AMILOXATE [MART.], AMILOXATE [USP-RS], AMILOXATE [WHO-DD], (E)-isopentyl 3-(4-methoxyphenyl)acrylate, AMILOXATE [USP IMPURITY], DTXCID9026055, DTXSID1046055, AMILOXATE [USP MONOGRAPH], NSC408332, NCGC00159435-02, 3-(4-Methoxyphenyl)-2-propenoic acid, 3-methylbutyl ester, 2-Propenoic acid, 3-(4-methoxyphenyl)-, 3-methylbutyl ester, AMILOXATE (MART.), AMILOXATE (USP-RS), 3-methylbutyl 3-(4-methoxyphenyl)prop-2-enoate, 3-methylbutyl (2E)-3-(4-methoxyphenyl)prop-2-enoate, AMILOXATE (USP IMPURITY), AMILOXATE (USP MONOGRAPH), Neo Heliopan E1000, MFCD00583856, amiloxatum, Amiloxate [USAN:USP:INN], UNII-376KTP06K8, EINECS 275-702-5, Neo Heliopan (TN), BRN 3132627, Amiloxate (USP/INN), AI3-05552, E 1000, EC 275-702-5, 3-Methylbutyl 3-(4-methoxyphenyl)-2-propenoate, SCHEMBL15764, 3-10-00-00850 (Beilstein Handbook Reference), CHEMBL1476782, 3-(4-Methoxyphenyl)-2-propenoic acid 3-methylbutyl ester, MSK3423, CHEBI:135982, UBNYRXMKIIGMKK-RMKNXTFCSA-N, DTXSID301349309, 4-Methoxycinnamic acid-isoamyl ester, Tox21_111666, s3218, AKOS015913998, AKOS025310783, 1ST3423, CS-W012670, DB11207, FI29838, HY-W011954, NSC 408332, NCGC00159435-03, BS-49548, DA-54393, CAS-71617-10-2, D02904, Isoamyl 4-methoxycinnamate, analytical standard, SBI-0654197.0001, EN300-7363198, EN300-18004835, SR-01000201509, SR-01000201509-1, 3-(4-Methoxyphenyl)-2-propenoic acid, isoamyl ester, 3-Methylbutyl (2E)-3-(4-methoxyphenyl)-2-propenoate, BRD-K37851352-001-01-0, Q17012246, Z212714982, Amiloxate, United States Pharmacopeia (USP) Reference Standard, 2-Benzoic acid, 2-propenoic acid, 3-(4-methoxyphenyl)-3-methylbutyl ester |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | COcccccc6))/C=C/C=O)OCCCC)C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Cinnamic acids and derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cinnamic acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H20O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | UBNYRXMKIIGMKK-RMKNXTFCSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | isoamyl p-methoxycinnamate |
| Esol Class | Soluble |
| Functional Groups | c/C=C/C(=O)OC, cOC |
| Compound Name | Amiloxate |
| Exact Mass | 248.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 248.32 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3/b9-6+ |
| Smiles | CC(C)CCOC(=O)/C=C/C1=CC=C(C=C1)OC |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643739