PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Scopoletin
PCNDIDS0062
Pubchem CID : 5280460
Molecular formula: C10H8O4

Molecular weight : 192.170

Canonical SMILES : COC1=C(C=C2C(=C1)C=CC(=O)O2)O

Synonymes : scopoletin|92-61-5|Gelseminic acid|7-Hydroxy-6-methoxy-2H-chromen-2-one|6-Methylesculetin|Chrysatropic acid|Murrayetin|Scopoletine|Scopoletol|7-Hydroxy-6-methoxycoumarin|Escopoletin|6-O-Methylesculetin|6-Methoxy-7-hydroxycoumarin|7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one|2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-|6-Methoxyumbelliferone|Esculetin 6-methyl ether|7-hydroxy-6-methoxychromen-2-one|beta-Methylesculetin|Esculetin-6-methyl ether|Buxuletin|.beta.-Methylesculetin|Chrysotropic Acid|Acid, Gelseminic|Acid, Chrysotropic|COUMARIN, 7-HYDROXY-6-METHOXY-|CCRIS 3592|NSC 405647|KLF1HS0SXJ|UNII-KLF1HS0SXJ|Baogongteng B|EINECS 202-171-9|NSC-405647|BRN 0156296|COPOLETIN|CHEBI:17488|7-hydroxy-6-methoxy-chromen-2-one|NSC405647|CHEMBL71851|DTXSID0075368|Gelseminic acid;Chrysatropic acid|5-18-03-00203 (Beilstein Handbook Reference)|TNP00096|SCOPOLETIN (USP-RS)|SCOPOLETIN [USP-RS]|SMR000112541|SR-01000841273|MFCD00006872|b-Methylaesculetin|beta -methylesculetin|Scopoletin, >=99%|SCOPOLETIN [MI]|Prestwick0_000962|Prestwick1_000962|Prestwick2_000962|Prestwick3_000962|Spectrum2_001207|Spectrum3_001532|Spectrum4_001054|Spectrum5_000654|Aesculetin 6-methyl ether|D05QOR|7-hydroxy-6-methoxycumarin|BIDD:PXR0125|BSPBio_000963|BSPBio_002944|KBioGR_001348|7-hydroxy-6-methoxy-coumarin|MLS002154074|MLS002472878|DivK1c_000720|SCHEMBL147702|SPECTRUM1502242|7-hydroxy 6-methoxy coumarine|SPBio_000994|SPBio_002884|Scopoletin, analytical standard|BPBio1_001061|MEGxp0_001192|DTXCID5048766|ACon1_000143|HMS502D22|KBio1_000720|KBio3_002444|NINDS_000720|HMS1571A05|HMS1921N16|HMS2098A05|HMS2268G04|HMS3885K10|BCP13342|HY-N0342|6-methoxy-7-oxidanyl-chromen-2-one|BDBM50156693|CCG-39140|s3881|STL570289|TD8126|AKOS000277133|CS-5791|CAS-92-61-5|IDI1_000720|7-hydroxy-6-methoxy-1-benzopyran-2-one|NCGC00016349-01|NCGC00016349-02|NCGC00016349-03|NCGC00016349-04|NCGC00016349-05|NCGC00016349-06|NCGC00016349-07|NCGC00016349-08|NCGC00094973-01|NCGC00094973-02|NCGC00094973-03|AC-34125|AS-65759|LS-55217|NCI60_003834|7-Hydroxy-6-methoxy-2H-chromen-2-one #|AB00443525|FT-0631451|S0367|C01752|S-2000|A844290|SCOPOLETIN (CONSTITUENT OF STINGING NETTLE)|Q2472366|SR-01000841273-3|SR-01000841273-4|BRD-K96163925-001-06-5|BRD-K96163925-001-09-9|2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI)|0B4B9FAA-686D-4977-AA08-65F8E4F1977C|SCOPOLETIN (CONSTITUENT OF STINGING NETTLE) [DSC]|Scopoletin, United States Pharmacopeia (USP) Reference Standard|T83

Structure
3D structure 2D structure
5280460
Predicted properties (NCBI Pubchem)

Physicochemical Properties