Molecule record

3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

C₂₅H₂₂O₁₀

482.44 g/mol

Loading structure

Molecular properties

Formula: C₂₅H₂₂O₁₀
Molar mass: 482.44 g·mol⁻¹
Exact mass: 482.1213 Da
: 15
PubChem CID: 5213

Functional groups

Alcohol

Alkane / alkyl carbon

Aromatic ring

Ether

Ketone

Phenol

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

142796-20-1
3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one
613-830-9
65666-07-1
84604-20-6
DTXSID5023580
Flavobin Spofa
MLS000028529

Show all 24 synonyms

RefChem:931755
SILYMARIN
SMR000058272
SR-01000000093
Silibin
Silibinin (mixture of Silybin A and Silybin B)
Silibinin B
Silibinin, INN
Silimarin
Silmyarin
Silybin
Silybin (7CI)
Silybin(Mixture A&B)
Silybin;Silibinin A;Silymarin I
Silybum substance E6
Silymarin (>80%)

Structure identifiers

Canonical SMILES: COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O
Isomeric SMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
InChI: InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3
InChIKey: SEBFKMXJBCUCAI-UHFFFAOYSA-N
PubChem CID: 5213

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

Open source record