Artonin T
PubChem CID: 44258664
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Artonin T, CHEBI:176137, DTXSID001106578, LMPK12111523, 161017-03-4, 5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-5H,7H-benzofuro[3,4-bc]xanthen-7-one, 5H,7H-Benzofuro[3,4-bc]xanthen-7-one, 5a,6-dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-, 8,17,19-trihydroxy-6-methoxy-14,14-dimethyl-18-(3-methylbut-2-enyl)-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 33.0 |
| Description | Constituent of the bark of Artocarpus heterophyllus (jackfruit). Artonin T is found in jackfruit and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 872.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,17,19-trihydroxy-6-methoxy-14,14-dimethyl-18-(3-methylbut-2-enyl)-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one |
| Nih Violation | False |
| Class | Benzopyrans |
| Xlogp | 5.0 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | 1-benzopyrans |
| Molecular Formula | C26H26O7 |
| Inchi Key | WGHQJSXSGKUCQL-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-5H,7H-benzofuro[3,4-bc]xanthen-7-one, Artonin T |
| Substituent Name | Xanthone, Naphthopyranone, Naphthopyran, 1-naphthol, Chromone, Naphthalene, Methoxyphenol, Benzofuran, Resorcinol, Anisole, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Heteroaromatic compound, Vinylogous acid, Polyol, Oxacycle, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | Artonin T |
| Kingdom | Organic compounds |
| Exact Mass | 450.168 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 450.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 450.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C26H26O7/c1-11(2)6-7-13-21(28)20-18-15(26(3,4)33-25(18)23(13)30)10-14-22(29)19-16(27)8-12(31-5)9-17(19)32-24(14)20/h6,8-9,15,27-28,30H,7,10H2,1-5H3 |
| Smiles | CC(=CCC1=C(C2=C3C(CC4=C2OC5=CC(=CC(=C5C4=O)O)OC)C(OC3=C1O)(C)C)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:fooddb_chem_all