11,21-Dihydroxy-7,7,18,18-tetramethyl-2,8,19-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15(20),16,21-octaen-13-one
PubChem CID: 11668301
Connections displayed (default: 10).
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| Topological Polar Surface Area | 85.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 754.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11,21-dihydroxy-7,7,18,18-tetramethyl-2,8,19-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15(20),16,21-octaen-13-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C23H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SVAULSXFOCUPQP-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -3.935 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.187 |
| Compound Name | 11,21-Dihydroxy-7,7,18,18-tetramethyl-2,8,19-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15(20),16,21-octaen-13-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 392.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 392.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.899864779310346 |
| Inchi | InChI=1S/C23H20O6/c1-22(2)7-5-11-15(28-22)9-13(24)18-19(26)17-12-6-8-23(3,4)29-20(12)14(25)10-16(17)27-21(11)18/h5-10,24-25H,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=C(C(=C4)O)OC(C=C5)(C)C)O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dryopteris Crenata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Durio Zibethinus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Garcinia Nigrolineata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Micromelum Minutum (Plant) Rel Props:Source_db:cmaup_ingredients