(9R,12S)-16,17-dimethoxy-11-methyl-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-9-ol

AlkaPlorer ID: AK026097

Synonym: None

IUPAC Name: (9R,12S)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-9-ol

Structure

SMILES: COC1=CC2=C(C=C1OC)C1=C3OCOC3=CC3=C1[C@H](C2)N(C)C[C@@H]3O

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InChI: InChI=1S/C20H21NO5/c1-21-8-14(22)12-7-17-20(26-9-25-17)19-11-6-16(24-3)15(23-2)5-10(11)4-13(21)18(12)19/h5-7,13-14,22H,4,8-9H2,1-3H3/t13-,14-/m0/s1

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InChIKey: BZJWIBFUENZRJZ-KBPBESRZSA-N

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Reference

PubChem CID: 162967897

SuperNatural Ⅲ: SN0039607-01

NPASS: NPC84244

Properties Information

Molecule Weight: 355.39000000000004

TPSA: 60.39

MolLogP: 2.675500000000001

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information