Artobiloxanthoe
PubChem CID: 10071572
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| Compound Synonyms | Artobiloxanthoe, artobiloxanthone, 121748-25-2, 11,18,19,21-tetrahydroxy-7,7-dimethyl-16-prop-1-en-2-yl-2,8-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one, 8,9-Dihydro-6,10,11,13-tetrahydroxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthen-7-one, 9CI |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | ZIYAGIMFLYOZDS-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | 8,9-Dihydro-6,10,11,13-tetrahydroxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthen-7-one, 9CI, KB 1 |
| Heavy Atom Count | 32.0 |
| Compound Name | Artobiloxanthoe |
| Description | Constituent of Artocarpus communis (breadfruit). Artobiloxanthone is found in breadfruit and fruits. |
| Exact Mass | 434.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 434.137 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 889.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 434.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11,18,19,21-tetrahydroxy-7,7-dimethyl-16-prop-1-en-2-yl-2,8-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C25H22O7/c1-10(2)12-7-13-21(29)20-15(27)9-17-11(5-6-25(3,4)32-17)23(20)31-24(13)19-14(26)8-16(28)22(30)18(12)19/h5-6,8-9,12,26-28,30H,1,7H2,2-4H3 |
| Smiles | CC(=C)C1CC2=C(C3=C1C(=C(C=C3O)O)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O |
| Xlogp | 4.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C25H22O7 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Communis (Plant) Rel Props:Source_db:fooddb_chem_all