5H,7H,11H-Benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one, 5a,6-dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-
PubChem CID: 14841185
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cycloartomunoxanthone, 135023-20-0, 5H,7H,11H-Benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one, 5a,6-dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-, 5H,7H,11H-Benzofuro(3,4-bc)pyrano(3,2-h)xanthen-7-one, 5a,6-dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-, CHEBI:172684, DTXSID301106822, LMPK12111517, 12,23-dihydroxy-21-methoxy-8,8,18,18-tetramethyl-3,9,19-trioxahexacyclo[15.6.1.02,15.04,13.05,10.020,24]tetracosa-1(24),2(15),4(13),5(10),6,11,20,22-octaen-14-one, 5a,6-Dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCC3CCCCC3C2CC2C1CC1CCC3CCCC2C31 |
| Np Classifier Class | Flavones |
| Deep Smiles | COcccO)c-coccC=CCOc6ccc%10c=O)c%14CCc%18c%22OC5C)C))))))))))O)))))C)C |
| Heavy Atom Count | 33.0 |
| Classyfire Class | Benzopyrans |
| Description | Constituent of the roots of Artocarpus communis (breadfruit). Cycloartomunoxanthone is found in breadfruit and fruits. |
| Scaffold Graph Node Level | OC1C2CCC3OCCCC3C2OC2C1CC1COC3CCCC2C13 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 920.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12,23-dihydroxy-21-methoxy-8,8,18,18-tetramethyl-3,9,19-trioxahexacyclo[15.6.1.02,15.04,13.05,10.020,24]tetracosa-1(24),2(15),4(13),5(10),6,11,20,22-octaen-14-one |
| Class | Benzopyrans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.4 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H24O7 |
| Scaffold Graph Node Bond Level | O=c1c2c(oc3c4c(ccc13)OCC=C4)-c1cccc3c1C(CO3)C2 |
| Inchi Key | HKEMUQOOVFTSNA-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 5a,6-Dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one, 5a,6-dihydro-1,8-Dihydroxy-3-methoxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-BC]pyrano[3,2-H]xanthen-7-one, cycloartomunoxanthone |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cC=CC, cO, cOC, coc |
| Compound Name | 5H,7H,11H-Benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one, 5a,6-dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl- |
| Kingdom | Organic compounds |
| Exact Mass | 448.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 448.152 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 448.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C26H24O7/c1-25(2)7-6-11-16(32-25)9-15(28)20-21(29)12-8-13-18-19(23(12)31-22(11)20)14(27)10-17(30-5)24(18)33-26(13,3)4/h6-7,9-10,13,27-28H,8H2,1-5H3 |
| Smiles | CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)CC5C6=C4C(=CC(=C6OC5(C)C)OC)O)O)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Pyranoxanthones |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Altilis (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Artocarpus Communis (Plant) Rel Props:Source_db:fooddb_chem_all