Xyloidone
Basic information
- CAS
15297-92-4- Standard SMILES
CC1(C)C=CC2=C(O1)C(=O)c1ccccc1C2=O- InChIKey
OWFHAMHRUCUSRM-UHFFFAOYSA-N- Molecular formula
- C15H12O3
- Average molar mass
- 240.25 g/mol
- Monoisotopic mass
- 240.07864424
Overview
Dehydro-alpha-lapachone has been reported in Rhinacanthus nasutus, Handroanthus guayacan, and other organisms with data available.
Names & identifiers
- Preferred name
- Xyloidone
- IUPAC
- 2,2-dimethylbenzo[g]chromene-5,10-dione
- English name
- xyloidone
- Molecular formula
- C15H12O3
- Molecular weight
- 240.25
Names & synonyms
XyloidoneDehydro-alpha-lapachone15297-92-42,2-dimethylbenzo[g]chromene-5,10-dioneDehydro-alpha-lapacholDehydro-alpha-lapaconealpha-Lapachone, dehydro-LDN-22684305WY61CUFDTXSID30165176NSC-106453NSC-629748
Show more names
Dehydro-α-lapachoneNSC106453NSC 629748NSC 106453Dehydro-α-lapacone
2,2-dimethylbenzo(g)chromene-5,10-dioneRefChem:904647DTXCID9087667Dehydrolapachone2,2-Dimethyl-2H-benzo[g]chromene-5,10-dioneDehydro-|A-lapachoneDehydro-.alpha.-lapacholDehydro-.alpha.-lapacone
Database identifiers
- CAS
15297-92-4- PubChem CID
- 72734
- DTXSID
DTXSID30165176- ChEMBL
CHEMBL272253- UNII
- 305WY61CUF
- EC Number
- 621-432-1
- Nikkaji
- J14.462B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Melting point
- 156 °C · 156 °C
- Boiling point
- 395.2 · 395.2±42.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 305 WY61CUF · 305WY61CUF
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
UsesDehydro-α-lapachone can be isolated from the methanol extract of stems of Catalpa ovata G Don. Dehydro-α-lapachone inhibits mycelial growth of Botrytis cinerea with IC50 value 0.41 mg/L[1].
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…