Chalcones

Trilobatin

三叶苷

PHY-NP-06641 · Natural product research catalog

Catalog number	PHY-NP-06641
CAS number	4192-90-9
Molecular formula	C₂₁H₂₄O₁₀
Molecular weight	436.413 g/mol
Chemical class	Chalcones
Purity / assay	Confirmed in quotation and batch COA

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Product information

Trilobatin is listed in the Chalcones section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name	1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
SMILES	C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChIKey	GSTCPEBQYSOEHV-QNDFHXLGSA-N
Subclass / scaffold	Chalcones
PubChem CID	6451798

Computed properties & structure classification

Exact mass (Da)	436.1369	Predicted LogP	-0.2024
Predicted TPSA (Å²)	177.14	H-bond donors	7
H-bond acceptors	10	Rotatable bonds	7
Ring count	3	Aromatic rings	2
Fraction Csp³	0.381	Synthetic accessibility score	3.77
QED score	0.288	Lipinski rule violations	1
NPClassifier pathway	Shikimates and Phenylpropanoids	NPClassifier superclass	Flavonoids
NPClassifier class	Chalcones	Parent SMILES	O=C(CCc1ccc(O)cc1)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O
Parent formula	C₂₁H₂₄O₁₀	Parent molecular weight	436.413
Specified stereocenters	5	Unspecified stereocenters	0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported source	Balanophora harlandii
LOTUS / Wikidata species	Balanophora harlandii(红冬蛇菰)[1]；Balanophora tobiracola(鸟黐蛇菰)[1]；Eriolobus trilobatus[1]；Lithocarpus litseifolius(木姜叶柯)[1]；Lithocarpus pachyphyllus(厚叶柯)[1]；Lithocarpus polystachyus(多穗石栎)[1]；Malus trilobata[1]；Vitis piasezkii(变叶葡萄)[1]；Vitis saccharifera[1]
Source families	Fagaceae[3]；Balanophoraceae[2]；Rosaceae[2]；Vitaceae[2]
LOTUS species records	9
LOTUS reference records	7
COCONUT occurrence records	Allophyllum divaricatum；Aplysia fasciata；Aspergillus fischeri；Balanophora harlandii；Balanophora tobiracola；Bazzania trilobata；Bulgaria pura；Capnophyllum dichotomum；Dendrodoris grandiflora；Eriolobus trilobatus；Eupomatia bennettii；Guettarda grazielae；Haematomma coccineum；Helichrysum decumbens；Lithocarpus litseifolius；Lithocarpus pachyphyllus；Lithocarpus polystachyus；Lithocarpus sp.；Malus sp.；Malus trilobata；Mentha canadensis；Metrosideros polymorpha；Piliostigma reticulatum；Psilocybe semilanceata；Solandra grandiflora；Solanum erianthum；Streptomyces alanosinicus；Supella longipalpa；Tinospora sinensis；Usnea longissima；…
COCONUT organism records	33
COCONUT identifier	CNP0328345.1

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Download structure · SDF ↓Download structure image ↓View PubChem record ↗

Structure files describe the catalog record. They are not COA, SDS or evidence of batch quality.

Documents & specifications

Certificate of analysis (COA)	Batch-specific document pending; not available in this preview
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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