6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-pyrano(2,3-c)pyrano(2',3':4,5)benzo(1,2-h)xanthene-7,10,15(9H,12H)-trione
PubChem CID: 10672941
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| Compound Synonyms | Artonol D, 186824-60-2, 6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-pyrano(2,3-c)pyrano(2',3':4,5)benzo(1,2-h)xanthene-7,10,15(9H,12H)-trione, 6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-pyrano[2,3-c]pyrano[2',3':4,5]benzo[1,2-h]xanthene-7,10,15(9H,12H)-trione, CHEBI:187795, DTXSID801101891, LMPK12111510, 17-hydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione, 6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthene-7,10,15(9H,12H)-trione, 6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-pyrano[2,3-c]pyrano[2a(2),3a(2):4,5]benzo[1,2-h]xanthene-7,10,15(9H,12H)-trione |
|---|---|
| Topological Polar Surface Area | 99.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 37.0 |
| Description | Constituent of the bark of Artocarpus communis (breadfruit). Artonol D is found in breadfruit and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1330.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-hydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione |
| Nih Violation | False |
| Class | Benzopyrans |
| Xlogp | 5.1 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | True |
| Subclass | 1-benzopyrans |
| Molecular Formula | C30H26O7 |
| Inchi Key | BPBNMDXSLVPNFT-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | 6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthene-7,10,15(9H,12H)-trione, Artonol D |
| Substituent Name | Pyranoxanthone, Naphthopyranone, Pyranochromene, Naphthopyran, 2,2-dimethyl-1-benzopyran, Chromone, Naphthalene, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Heteroaromatic compound, Vinylogous ester, Vinylogous acid, Ketone, Oxacycle, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic heteropolycyclic compound |
| Compound Name | 6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-pyrano(2,3-c)pyrano(2',3':4,5)benzo(1,2-h)xanthene-7,10,15(9H,12H)-trione |
| Kingdom | Organic compounds |
| Exact Mass | 498.168 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 498.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 498.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C30H26O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31H,1,11H2,2-6H3 |
| Smiles | CC(=C)C1CC2=C(C3=C1C(=O)C4=C(C3=O)C=CC(O4)(C)C)OC5=C(C2=O)C(=CC6=C5C=CC(O6)(C)C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Communis (Plant) Rel Props:Source_db:fooddb_chem_all