Basic information
- CAS
4449-55-2- Standard SMILES
CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C=CC(C)(C)O2- InChIKey
HGHOPAZIUPORIN-UHFFFAOYSA-N- Molecular formula
- C25H24O5
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.16237386
Overview
Warangalone has been reported in Maclura pomifera, Euchresta horsfieldii, and other organisms with data available.
Names & identifiers
- Preferred name
- Warangalone
- IUPAC
- 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
- English name
- warangalone
- Molecular formula
- C25H24O5
- Molecular weight
- 404.46
Names & synonyms
Warangalone4449-55-2DTXSID401961935-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano(3,2-g)chromen-6-oneRefChem:194757DTXCID50118684ScandenoloneScandenone2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-WarangalonHGHOPAZIUPORIN-UHFFFAOYSA-N
Show more names
Warangalone (Scandenolone)5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-6-pyrano[3,2-g][1]benzopyranone5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)pyrano[3,2-g]chromen-4(8H)-one2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one,5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-buten-1-yl)-
2H,6H-Benzo(1,2-b:5,4-b')dipyran-6-one, 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-MFCD00220453SCHEMBL571534CHEMBL458134orb1679060HY-N1074LMPK12050205AKOS015896248
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 752
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 164 · 164-165 °C
- Boiling point
- 627 · 627.0±55.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 6.39 · 6.39±0.40(Predicted)
- color
- Light yellow to yellow
Chemistry & industry
Applications
UsesWarangalone, is an anti-malarial compound that can inhibit the growth of both strains of parasite 3D7 (chloroquine sensitive) and K1 (chloroquine resistant). It can also inhibit cyclic AMP-dependent protein kinase catalytic subunit (cAK).
Suppliers41 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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