Basic information
- CAS
60423-21-4- Standard SMILES
COc1ccc(-c2ccc(OC)c(=O)cc2)c(OC)c1OC- InChIKey
QIMGSZURBOTPMW-UHFFFAOYSA-N- Molecular formula
- C17H18O5
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.11542367
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Methoxy-5-(2',3',4'-trimethoxyphenyl)tropone
- IUPAC
- 2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
- English name
- 2-methoxy-5-(2',3',4'-trimethoxyphenyl)tropone
- Molecular formula
- C17H18O5
- Molecular weight
- 302.32
Names & synonyms
2-Methoxy-5-(2',3',4'-trimethoxyphenyl)tropone60423-21-4XLQ3SGL8DPDTXSID40209176NSC-3676012-methoxy-5-(2,3,4-trimethoxyphenyl)-2,4,6-cycloheptatrien-1-one2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-METHOXY-5-(2,3,4-TRIMETHOXYPHENYL)-MTPT cpd2-MTPTORefChem:87840DTXCID601316672-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
Show more names
methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CHEMBL79720BRN 43248608WBUNII-XLQ3SGL8DPSCHEMBL1370802SCHEMBL29364192BDBM50279934NSC367601
Database identifiers
- CAS
60423-21-4- PubChem CID
- 43264
- DTXSID
DTXSID40209176- ChEMBL
CHEMBL79720- UNII
- XLQ3SGL8DP
- Nikkaji
- J75.320C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- FDA UNII
- 3 SGL8DP · XLQ3SGL8DP
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that interact with TUBULIN to inhibit or promote polymerization of MICROTUBULES.
Suppliers2 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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