Guattescidine; 7-Demethyl, 6,6a-dihydro, 6,6a-dimethyl, 7-ketone 

AlkaPlorer ID: AK299754

Synonym: N-Methylguattescidine (incorr.) 

IUPAC Name: 16-hydroxy-11,12-dimethyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-one

Structure

SMILES: CN1CCC2=C3C(=C4OCOC4=C2)C2=CC=C(O)C=C2C(=O)C31C

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InChI: InChI=1S/C19H17NO4/c1-19-16-10(5-6-20(19)2)7-14-17(24-9-23-14)15(16)12-4-3-11(21)8-13(12)18(19)22/h3-4,7-8,21H,5-6,9H2,1-2H3

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InChIKey: GIONINGVLGZFDK-UHFFFAOYSA-N

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Reference

PubChem CID: 132582339

COCONUT: CNP0310859.1

Source

Properties Information

Molecule Weight: 323.34800000000007

TPSA: 59.00000000000001

MolLogP: 2.6873000000000005

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information