Peptides

Phalloidin

二羟鬼笔毒肽

PHY-NP-04770 · Natural product research catalog

Catalog number	PHY-NP-04770
CAS number	17466-45-4
Molecular formula	C₃₅H₄₈N₈O₁₁S
Molecular weight	788.881 g/mol
Chemical class	Peptides
Purity / assay	Confirmed in quotation and batch COA

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Product information

Phalloidin is listed in the Peptides 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	(1S,14R,18S,20S,23S,28S,31S,34R)-28-[(2R)-2,3-dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
SMILES	C[C@H]1C(=O)N[C@H]2CC3=C(NC4=CC=CC=C34)SC[C@@H](C(=O)N5C[C@H](C[C@H]5C(=O)N1)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)C[C@](C)(CO)O)C)[C@H](C)O
InChIKey	KPKZJLCSROULON-QKGLWVMZSA-N
Subclass / scaffold	RiPPs-Amatoxins and Phallotoxins
PubChem CID	441542

Computed properties & structure classification

Exact mass (Da)	788.3163	Predicted LogP	-3.7457
Predicted TPSA (Å²)	291.62	H-bond donors	11
H-bond acceptors	12	Rotatable bonds	4
Ring count	5	Aromatic rings	2
Fraction Csp³	0.571	Synthetic accessibility score	6.62
QED score	0.143	Lipinski rule violations	3
NPClassifier pathway	Amino acids and Peptides	NPClassifier superclass	Oligopeptides
NPClassifier class	RiPPs-Amatoxins and Phallotoxins	Parent SMILES	C[C@@H]1NC(=O)[C@H](C[C@@](C)(O)CO)NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)SC[C@H](NC(=O)[C@@H]([C@H](C)O)NC1=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](C)C(=O)N2
Parent formula	C₃₅H₄₈N₈O₁₁S	Parent molecular weight	788.881
Specified stereocenters	10	Unspecified stereocenters	0

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

Reported natural occurrence

Main reported source	Amanita phalloides
LOTUS / Wikidata species	Amanita phalloides(黄绿毒鹅膏菌)[6]；Amanita ocreata(赭鹅膏)[2]；Amanita suballiacea[2]；Amanita verna(致命白毒伞)[2]；Amanita virosa(鳞柄白鹅膏)[2]；Amanita amerivirosa[1]；Amanita arocheae[1]；Amanita bisporigera[1]；Amanita fuliginea(灰花纹鹅膏)[1]；Amanita fuligineoides[1]；Amanita hygroscopica[1]；Amanita marmorata[1]；Amanita molliuscula(软托鹅膏)[1]；Amanita pallidorosea(淡红鹅膏)[1]；Amanita reidii[1]；…
Source families	Amanitaceae[18]
LOTUS species records	18
LOTUS reference records	17
COCONUT occurrence records	Amanita bisporigera；Amanita ocreata；Amanita phalloides；Amanita suballiacea；Amanita verna；Amanita virosa
COCONUT organism records	6
COCONUT identifier	CNP0138292.1
Source reference DOI(s)	10.1007/978-3-319-76822-9

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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