Dendocarbin A
PubChem CID: 10911949
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| Compound Synonyms | Dendocarbin A, 350986-74-2, Dendrocarbin A, (1R,5aS,9aS,9bR)-5,5a,6,7,8,9,9a,9b-Octahydro-1-hydroxy-6,6,9a-trimethylnaphtho[1,2-c]furan-3(1H)-one, CHEMBL512505, BDBM50465351, AKOS032961791, FS-9787, CS-0024120, (1R,5aS,9aS,9bR)-1-Hydroxy-6,6,9a-\ trimethyldodecahydronaphtho[1,2-c]furan-3-one, (1R,5aS,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P32297, P36544 |
| Iupac Name | (1R,5aS,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C15H22O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SNBMCLVOVBJJOU-MDHDOXDCSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.104 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.965 |
| Compound Name | Dendocarbin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 250.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5907955999999994 |
| Inchi | InChI=1S/C15H22O3/c1-14(2)7-4-8-15(3)10(14)6-5-9-11(15)13(17)18-12(9)16/h5,10-11,13,17H,4,6-8H2,1-3H3/t10-,11+,13+,15-/m0/s1 |
| Smiles | C[C@]12CCCC([C@@H]1CC=C3[C@@H]2[C@@H](OC3=O)O)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Eriantha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Drimys Winteri (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Lamium Galeobdolon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all