Phalloidin

AlkaPlorer ID: AK309911

Synonym: None

IUPAC Name: 28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-34-(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

Structure

SMILES: CC1NC(=O)C(CC(C)(O)CO)NC(=O)C2CC3=C(NC4=CC=CC=C34)SCC(NC(=O)C(C(C)O)NC1=O)C(=O)N1CC(O)CC1C(=O)NC(C)C(=O)N2

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InChI: InChI=1S/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)

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InChIKey: KPKZJLCSROULON-UHFFFAOYSA-N

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Reference

PubChem CID: 4752

CAS: 17466-45-4

COCONUT: CNP0138292.2

Properties Information

Molecule Weight: 788.881

TPSA: 291.6199999999999

MolLogP: -3.745699999999992

Number of H-Donors: 11

Number of H-Acceptors: 12

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information