From the seeds of Chamaecyparis pisifera
PubChem CID: 355228
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| Compound Synonyms | NSC608490, DTXSID30912849, NSC-608490, From the seeds of Chamaecyparis pisifera, 1,1-Dimethyl-8-(propan-2-yl)-1,2,3,4,5,10,11,11a-octahydro-4aH-dibenzo[a,d][7]annulene-4a,7-diol, 4aH-Dibenzo[a,7-diol, 1,2,3,4,5,10,11,11a-octahydro-1,1-dimethyl- 8-(1-methylethyl)-,(4aS-trans)- |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-1,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C20H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZNOTFOFROXACM-IJHRGXPZSA-N |
| Fcsp3 | 0.7 |
| Logs | -4.919 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.234 |
| Compound Name | From the seeds of Chamaecyparis pisifera |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 302.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.013657781818181 |
| Inchi | InChI=1S/C20H30O2/c1-13(2)16-10-14-6-7-18-19(3,4)8-5-9-20(18,22)12-15(14)11-17(16)21/h10-11,13,18,21-22H,5-9,12H2,1-4H3/t18?,20-/m0/s1 |
| Smiles | CC(C)C1=C(C=C2C[C@]3(CCCC(C3CCC2=C1)(C)C)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chamaecyparis Pisifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Salvia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients