Dendrochrysanene
PubChem CID: 11964533
Connections displayed (default: 10).
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| Compound Synonyms | dendrochrysanene, 7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione |
|---|---|
| Topological Polar Surface Area | 123.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 970.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C30H20O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UWWYZNJBKCPSCM-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -5.852 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.489 |
| Compound Name | Dendrochrysanene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 508.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 508.116 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 508.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.4590568210526325 |
| Inchi | InChI=1S/C30H20O8/c1-36-21-9-13-7-15(31)3-5-17(13)24-19(33)11-23-28(26(21)24)30(29(35)38-23)12-20(34)25-18-6-4-16(32)8-14(18)10-22(37-2)27(25)30/h3-11,31-33H,12H2,1-2H3 |
| Smiles | COC1=C2C(=C3C=CC(=CC3=C1)O)C(=CC4=C2C5(CC(=O)C6=C7C=CC(=CC7=CC(=C65)OC)O)C(=O)O4)O |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Candidum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysotoxum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Dendrobium Loddigesii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients