(+)-3-epi-3,4-Dihydro-3-hydroxygraciline

AlkaPlorer ID: AK198807

Synonym: '', '(+)-3,4-Dihydro-3-hydroxygraciline'

IUPAC Name: (1R,13R,15R)-20-methyl-5,7,12-trioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-ol

Structure

SMILES: CN1CC[C@]23C=C[C@H](O)C[C@]12OCC1=CC2=C(C=C13)OCO2

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InChI: InChI=1S/C17H19NO4/c1-18-5-4-16-3-2-12(19)8-17(16,18)22-9-11-6-14-15(7-13(11)16)21-10-20-14/h2-3,6-7,12,19H,4-5,8-10H2,1H3/t12-,16-,17+/m0/s1

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InChIKey: RVGHIJPVZJBFEH-AFAVFJNCSA-N

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Source

Properties Information

Molecule Weight: 301.342

TPSA: 51.16000000000001

MolLogP: 1.5358999999999998

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