Tetrapterol b
PubChem CID: 15234087
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| Compound Synonyms | tetrapterol b |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 634.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (16R,25R)-6,10,10-trimethyl-11,15,23-trioxahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),2,4(9),5,7,12,17(22),18,20-nonaen-20-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C25H22O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XKAMTTQWKUJSEX-CYFREDJKSA-N |
| Fcsp3 | 0.28 |
| Logs | -5.657 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.238 |
| Compound Name | Tetrapterol b |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 386.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 386.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.694081744827587 |
| Inchi | InChI=1S/C25H22O4/c1-13-4-7-20-16(8-13)17-10-18-19-12-27-21-9-14(26)5-6-15(21)24(19)28-22(18)11-23(17)29-25(20,2)3/h4-11,19,24,26H,12H2,1-3H3/t19-,24-/m0/s1 |
| Smiles | CC1=CC2=C(C=C1)C(OC3=CC4=C(C=C32)[C@@H]5COC6=C([C@@H]5O4)C=CC(=C6)O)(C)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aleurites Cordata (Plant) Rel Props:Source_db:cmaup_ingredients