Nigrolineaxanthone V
PubChem CID: 11553272
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| Compound Synonyms | Nigrolineaxanthone V, 864516-31-4, 7,12-dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one, 2H,6H-Pyrano[3,2-b]xanthene-6-one, 7,12-dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-, 7,12-Dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methyl-2-buten-1-yl)-2H,6H-pyrano[3,2-b]xanthene-6-one, 7,12-dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano(3,2-b)xanthen-6-one, AKOS032961778, FS-9108, CS-0023536, 7,12-DIHYDROXY-9-METHOXY-2,2-DIMETHYL-10-(3-METHYLBUT-2-EN-1-YL)-1,11-DIOXATETRACEN-6-ONE, 7,12-Dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 723.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,12-dihydroxy-9-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C24H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OCYZJBDJUYIHMM-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -2.781 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.738 |
| Compound Name | Nigrolineaxanthone V |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 408.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 408.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 408.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.406823333333334 |
| Inchi | InChI=1S/C24H24O6/c1-12(2)6-7-14-17(28-5)11-16(25)18-19(26)15-10-13-8-9-24(3,4)30-21(13)20(27)23(15)29-22(14)18/h6,8-11,25,27H,7H2,1-5H3 |
| Smiles | CC(=CCC1=C(C=C(C2=C1OC3=C(C2=O)C=C4C=CC(OC4=C3O)(C)C)O)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cistanche Salsa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Garcinia Nigrolineata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Garcinia Oblongifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Neomeris Annulata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Piper Wightii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Trifolium Resupinatum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Zanthoxylum Decaryi (Plant) Rel Props:Source_db:cmaup_ingredients