Cyclopiamide I; 21-Ketone
AlkaPlorer ID: AK293766
Synonym: Penicamedine A, Speradine F, Speradine B
IUPAC Name: 5-acetyl-3,4,5-trihydroxy-8,8,16-trimethyl-19-oxa-7,16-diazahexacyclo[9.6.1.11,4.02,9.03,7.015,18]nonadeca-11(18),12,14-triene-6,17-dione
Structure
SMILES: CC(=O)C1(O)C(=O)N2C(C)(C)C3CC4=CC=CC5=C4C4(OC1(O)C2(O)C34)C(=O)N5C
InChI: InChI=1S/C21H22N2O7/c1-9(24)19(27)16(26)23-17(2,3)11-8-10-6-5-7-12-13(10)18(15(25)22(12)4)14(11)20(23,28)21(19,29)30-18/h5-7,11,14,27-29H,8H2,1-4H3
InChIKey: QLOOWQVCXQPADP-UHFFFAOYSA-N
Reference
Penicamedine A, a Highly Oxygenated Hexacyclic Indole Alkaloid from <i>Penicillium camemberti</i>
PubChem CID: 163086634
LOTUS: LTS0046421
COCONUT: CNP0400130.1
Source
Properties Information
Molecule Weight: 414.41400000000016
TPSA？: 127.61
MolLogP？: -0.9913
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 6
Activities Information
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