1,5,15-Tri-O-methylmorindol
PubChem CID: 16203753
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| Compound Synonyms | 1,5,15-Tri-O-methylmorindol, 942609-65-6, 2-HYDROXY-1,5-DIMETHOXY-6-(METHOXYMETHYL)ANTHRACENE-9,10-DIONE, 9,10-Anthracenedione, 2-hydroxy-1,5-dimethoxy-6-(methoxymethyl)-, CHEMBL227461, 2-hydroxy-1,5-dimethoxy-6-(methoxymethyl)-9,10-anthraquinone, SMB60965, AKOS032961775, FS-9183, DA-49030, B0005-190261 |
|---|---|
| Topological Polar Surface Area | 82.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 492.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-1,5-dimethoxy-6-(methoxymethyl)anthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HEVJQUHAJKODII-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -4.971 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.471 |
| Compound Name | 1,5,15-Tri-O-methylmorindol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3108839999999997 |
| Inchi | InChI=1S/C18H16O6/c1-22-8-9-4-5-10-13(17(9)23-2)15(20)11-6-7-12(19)18(24-3)14(11)16(10)21/h4-7,19H,8H2,1-3H3 |
| Smiles | COCC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morinda Citrifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all