Saprorthoquinone
PubChem CID: 372741
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| Compound Synonyms | Saprorthoquinone, Saprothoquinone, 102607-41-0, NSC648341, 7-methyl-8-(4-methylpent-3-enyl)-3-propan-2-ylnaphthalene-1,2-dione, CHEMBL328673, 3-Isopropyl-7-methyl-8-(4-methylpent-3-en-1-yl)naphthalene-1,2-dione, 3-Isopropyl-7-methyl-8-(4-methyl-3-pentenyl)-1,2-naphthalenedione, BDBM50606780, HY-N10687, AKOS040763458, FS-7560, NSC-648341, DA-77681, NCI60_016773, CS-0634296, AO-088/21192010, 3-isopropyl-7-methyl-8-(4-methylpent-3-enyl)naphthalene-1,2-dione |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 506.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methyl-8-(4-methylpent-3-enyl)-3-propan-2-ylnaphthalene-1,2-dione |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C20H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FWJDKZSXXFWHPR-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.256 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.101 |
| Compound Name | Saprorthoquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8978601818181815 |
| Inchi | InChI=1S/C20H24O2/c1-12(2)7-6-8-16-14(5)9-10-15-11-17(13(3)4)19(21)20(22)18(15)16/h7,9-11,13H,6,8H2,1-5H3 |
| Smiles | CC1=C(C2=C(C=C1)C=C(C(=O)C2=O)C(C)C)CCC=C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Keiskei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all