Flavanones

Neoeriocitrin

新北美圣草苷

PHY-NP-01980 · Natural product research catalog

Catalog number	PHY-NP-01980
CAS number	13241-32-2
Molecular formula	C₂₇H₃₂O₁₅
Molecular weight	596.538 g/mol
Chemical class	Flavanones
Purity / assay	Confirmed in quotation and batch COA

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Product information

Neoeriocitrin is listed in the Flavanones 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	(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O
InChIKey	OBKKEZLIABHSGY-DOYQYKRZSA-N
Subclass / scaffold	Flavanones
PubChem CID	114627

Computed properties & structure classification

Exact mass (Da)	596.1741	Predicted LogP	-1.4596
Predicted TPSA (Å²)	245.29	H-bond donors	9
H-bond acceptors	15	Rotatable bonds	6
Ring count	5	Aromatic rings	2
Fraction Csp³	0.519	Synthetic accessibility score	4.84
QED score	0.173	Lipinski rule violations	3
NPClassifier pathway	Shikimates and Phenylpropanoids	NPClassifier superclass	Flavonoids
NPClassifier class	Flavanones	Parent SMILES	C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)c(O)c3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Parent formula	C₂₇H₃₂O₁₅	Parent molecular weight	596.538
Specified stereocenters	11	Unspecified stereocenters	0

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

Reported natural occurrence

Main reported source	Citrus grandis
LOTUS / Wikidata species	Citrus grandis(柚)[3]；Citrus × paradisi(葡萄柚)[3]；pomelo(柚子)[3]；Ailanthus integrifolia(伯克臭椿)[1]；Citrus hystrix(箭叶橙)[1]；Citrus latipes(凯西大翼橙)[1]；Clinopodium chinense(风轮菜)[1]；Drynaria fortunei(槲蕨)[1]；Drynaria roosii(槲蕨)[1]；Poncirus trifoliata(枳)[1]；Pyrrosia serpens[1]
Source families	Rutaceae[6]；Polypodiaceae[3]；Simaroubaceae[1]；Lamiaceae[1]
LOTUS species records	11
LOTUS reference records	9
COCONUT occurrence records	Ailanthus integrifolia；Citrus Aurantium；Citrus aurantiifolia；Citrus aurantium；Citrus grandis；Citrus hystrix；Citrus latipes；Citrus limon；Citrus maxima；Citrus medica；Citrus natsudaidai；Citrus paradisi；Citrus sinensis；Citrus sp.；Citrus trifoliata；Citrus wilsonii；Citrus × paradisi；Clinopodium chinense；Drynaria fortunei；Drynaria roosii；Drynaria sp.；Pyrrosia serpens；Trifoliate orange；pomelo
COCONUT organism records	24
COCONUT identifier	CNP0252400.1

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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