Tanshinone I

C₁₈H₁₂O₃CAS 568-73-0276.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₂O₃
Molar mass: 276.29 g/mol
Exact mass: 276.0786 Da
Melting point: 230–232 °C
logP: 4.10Crippen estimate
Polar surface area: 47.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

568-73-0

SMILES

Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12

InChIKey

AIGAZQPHXLWMOJ-UHFFFAOYSA-N

InChI

InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Phenanthro[1,2-b]furan-10,11-dione, 1,6-dimethyl-
1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione
Tanshinon I
Tanshinone A

Work with Tanshinone I

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tanshinone iia568-72-948 % similar 1,5-Dimethylnaphthalene571-61-939 % similar 8,9-Dihydro-4,8-dimethylphenanthro[3,2-B]furan-7,11-dione20958-18-339 % similar Dihydrotanshinone I87205-99-038 % similar 3-Methylphthalic anhydride4792-30-732 % similar 2,6-Dimethylbenzoic acid632-46-232 % similar Methylnaphthalene1321-94-432 % similar 1-Methylnaphthalene90-12-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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