Erianin
PubChem CID: 356759
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| Compound Synonyms | Erianin, 95041-90-0, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol, 2-methoxy-5-(3,4,5-trimethoxyphenethyl)phenol, CHEMBL10557, 2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-phenol, Phenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-, Erianin?, 2-Methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol, NSC 613744, Erianin (Standard), MFCD06795132, NSC613744, SCHEMBL1535646, HY-N0517R, DTXSID40326751, UXDFUVFNIAJEGM-UHFFFAOYSA-N, B817373-K388, same as, BCP07974, EX-A7098, HY-N0517, BDBM50005478, MSK175543, s9137, AKOS025401669, CCG-267683, NSC-613744, AC-24234, AS-78334, DB-347219, CS-0009056, B817373-K346, 7BA, Erianin2-methoxy-5-(3,4,5-trimethoxyphenethyl)phenol, 2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-phenol, W4F |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CCC2CCCCC2)CC1 |
| Np Classifier Class | Monomeric stilbenes |
| Deep Smiles | COcccCCcccccc6)O))OC))))))))ccc6OC)))OC |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Stilbenes |
| Scaffold Graph Node Level | C1CCC(CCC2CCCCC2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q862F3, Q6B856, Q9BUF5, P0DTD1, n.a. |
| Iupac Name | 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H22O5 |
| Scaffold Graph Node Bond Level | c1ccc(CCc2ccccc2)cc1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UXDFUVFNIAJEGM-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.707 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.339 |
| Synonyms | erianin |
| Esol Class | Moderately soluble |
| Functional Groups | cO, cOC |
| Compound Name | Erianin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 318.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 318.4 |
| 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 | -4.05007475652174 |
| Inchi | InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Stilbenoids |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Candidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysotoxum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Dendrobium Loddigesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all