Basic information
- CAS
3568-90-9- Standard SMILES
CC(C)=CCC1=CC(=O)c2ccccc2C1=O- InChIKey
OSDFYZPKJKRCRR-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Overview
Deoxylapachol is a member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone substituted by a 3-methylbut-2-en-1-yl group at position 2. It has a role as an antineoplastic agent, an antifungal agent, a marine metabolite, a plant metabolite and an algal metabolite. It is a member of 1,4-naphthoquinones and an olefinic compound.
Names & identifiers
- Preferred name
- Deoxylapachol
- IUPAC
- 2-(3-methylbut-2-enyl)naphthalene-1,4-dione
- English name
- deoxylapachol
- Molecular formula
- C15H14O2
- Molecular weight
- 226.27
Names & synonyms
Deoxylapachol3568-90-92-(3-methylbut-2-enyl)naphthalene-1,4-dione1,4-Naphthalenedione, 2-(3-methyl-2-butenyl)-NSC-123507M5RT9GV702DTXSID40189186RefChem:131961DTXCID701116772-(3-Methylbut-2-en-1-yl)naphthalene-1,4-dione2-DeoxylapacholDESOXYLAPACHOL
Show more names
Deoxylapachol, 10 mM in DMSO2-(3-Methyl-2-butenyl)-1,4-naphthoquinone2-(3-Methyl 2-butenyl)-1,4-naphthoquinone1,4-Naphthalenedione,2-(3-Methyl-2-buten-1-yl)-
CHEBI:281921,4-Naphthoquinone, 2-(3-methyl-2-butenyl)-HY-N3733AKOS032948786MS-232802-(3-methylbut-2-en-1-yl)-1,4-dihydronaphthalene-1,4-dioneE72228prenylnaphthoquinone
Database identifiers
- CAS
3568-90-9- PubChem CID
- 97448
- DTXSID
DTXSID40189186- ChEMBL
CHEMBL32570- ChEBI
CHEBI:4414
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- oil
- color
- Yellow
- InChI
- InChI=1S/C15H14O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,9H,8H2,1-2H3
- InChIKey
- OSDFYZPKJKRCRR-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC=C2)C(=O)C=C1C/C=C(/C)\C
- LogP
- 4.24 · 4.240 (est)
- FDA UNII
- 5 RT9GV702 · M5RT9GV702
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300-H315-H319-H335
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P312-P403+P233-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H300-H315-H319-H335
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P312-P403+P233-P405
Chemistry & industry
Applications
DescriptionDeoxylapachol is the main allergen identified in teak (Tectona grandis). Sensitization often concerns people involved in woodwork.
Occurrencedeoxylapachol is a natural product found inTectona grandis,Handroanthus impetiginosus, andother organismswith data available.
UsesDeoxylapachol is a major cytotoxic component of New Zealand brown alga,Landsburgia quercifolia. Deoxylapachol has antifungal and anti-cancer activity.
Suppliers68 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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