Procyanidins

Cinnamtannin A3

原花青素A3

PHY-NP-04457 · Natural product research catalog

Catalog number	PHY-NP-04457
CAS number	86631-39-2
Molecular formula	C₇₅H₆₂O₃₀
Molecular weight	1443.291 g/mol
Chemical class	Procyanidins
Main reported source	Cinnamomum aromaticum
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Cinnamtannin A3 is listed in the Procyanidins 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.

IUPAC name	(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
SMILES	C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC(=C4[C@@H]5[C@H]([C@H](OC6=C(C(=CC(=C56)O)O)[C@@H]7[C@H]([C@H](OC8=C(C(=CC(=C78)O)O)[C@@H]9[C@H]([C@H](OC1=CC(=CC(=C91)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
InChIKey	QRFZGLTZLZZHCM-NWYMYRDLSA-N
Subclass / scaffold	黄烷-3-醇5单元
PubChem CID	16129741

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	15
Aromatic rings	10
Fraction Csp³	0.2
Synthetic accessibility score	6.94
QED score	0.063
Lipinski rule violations	4
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Flavonoids
NPClassifier class	Proanthocyanins
Parent SMILES	Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2
Parent formula	C₇₅H₆₂O₃₀
Parent molecular weight	1443.291
Specified stereocenters	14
Unspecified stereocenters	0

Main reported source	Cinnamomum aromaticum
Reported source families	Lauraceae; Malvaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Cinnamomum aromaticum[1]; Cinnamomum burmanni[1]; Cinnamomum cassia[1]; Cinnamomum iners[1]; Cinnamomum pachyphyllum[1]; Cinnamomum verum[1]; Theobroma cacao[1]
All reported source families	Lauraceae[6]; Malvaceae[1]
LOTUS species records	7
LOTUS reference records	2
COCONUT occurrence records	Aconitum pseudohuiliense; Aconitum sachalinense; Alcyonium molle; Alstonia deplanchei; Amanita cokeri; Aplophyllum popovii; Asteriscus graveolens; Baccharis megapotamica; Bombus muscorum; Cacalia bicolor; Centrosema pascuorum; Ceratozamia fuscoviridis; Cinnamomum aromaticum; Cinnamomum burmanni; Cinnamomum cassia; Cinnamomum iners; Cinnamomum pachyphyllum; Cinnamon; Citrus glauca; Codium decorticatum; Critonia quadrangularis; Cryptotermes cynocephalus; Dacrydium fonki; Erigeron crispus; Eupatorium gracile; Ficus simplicissima; Flemingia congesta; Fomes cajanderi; Haplophyllum dauricum; Lecanora planaica
COCONUT organism records	54
COCONUT identifier	CNP0260597.2

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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