Rubralide C
PubChem CID: 102516031
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| Compound Synonyms | Rubralide C, CHEBI:210349, (3R)-4,6-dihydroxy-3-methoxy-5-methyl-3H-2-benzofuran-1-one, (3R)-4,6-dihydroxy-3-methoxy-5-methyl-3H-2-benzouran-1-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 267.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-4,6-dihydroxy-3-methoxy-5-methyl-3H-2-benzofuran-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C10H10O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MEQAIIPMRAUIPD-SNVBAGLBSA-N |
| Fcsp3 | 0.3 |
| Logs | -1.871 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.883 |
| Compound Name | Rubralide C |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 210.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 210.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9968469999999998 |
| Inchi | InChI=1S/C10H10O5/c1-4-6(11)3-5-7(8(4)12)10(14-2)15-9(5)13/h3,10-12H,1-2H3/t10-/m1/s1 |
| Smiles | CC1=C(C=C2C(=C1O)[C@@H](OC2=O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clibadium Microcephalum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Globularia Nudicaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Helianthus Pumilus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Leucas Aspera (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Schkuhria Anthemoidea (Plant) Rel Props:Source_db:cmaup_ingredients