Tenuiorin
PubChem CID: 10391110
Connections displayed (default: 10).
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| Compound Synonyms | Tenuiorin, 570-07-0, CHEBI:144233, DTXSID101106202, [3-hydroxy-4-(3-hydroxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-5-methylphenyl] 2-hydroxy-4-methoxy-6-methylbenzoate, 3-Hydroxy-4-(methoxycarbonyl)-5-methylphenyl 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoate |
|---|---|
| Topological Polar Surface Area | 149.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 787.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-hydroxy-4-(3-hydroxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-5-methylphenyl] 2-hydroxy-4-methoxy-6-methylbenzoate |
| Prediction Hob | 0.0 |
| Xlogp | 6.2 |
| Molecular Formula | C26H24O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HTOPMCGBOADATG-UHFFFAOYSA-N |
| Fcsp3 | 0.1923076923076923 |
| Logs | -4.502 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.024 |
| Compound Name | Tenuiorin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 496.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 496.137 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 496.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.6316016000000015 |
| Inchi | InChI=1S/C26H24O10/c1-12-6-15(33-4)9-18(27)22(12)25(31)36-17-8-14(3)23(20(29)11-17)26(32)35-16-7-13(2)21(19(28)10-16)24(30)34-5/h6-11,27-29H,1-5H3 |
| Smiles | CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)OC)O)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Apium Leptophyllum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lagopsis Supina (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ocimum Gratissimum (Plant) Rel Props:Source_db:cmaup_ingredients