(13S)-16,18-dimethoxy-13-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),11,14(19),15,17-heptaen-13-ol

AlkaPlorer ID: AK251385

Synonym: None

IUPAC Name: (13S)-16,18-dimethoxy-13-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,11,14(19),15,17-heptaen-13-ol

Structure

SMILES: COC1=CC(OC)=C2C(=C1)[C@](C)(O)C1=NCCC3=CC4=C(OCO4)C2=C13

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InChI: InChI=1S/C20H19NO5/c1-20(22)12-7-11(23-2)8-13(24-3)16(12)17-15-10(4-5-21-19(15)20)6-14-18(17)26-9-25-14/h6-8,22H,4-5,9H2,1-3H3/t20-/m0/s1

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InChIKey: JQGIQJSKFPVMEZ-FQEVSTJZSA-N

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Reference

PubChem CID: 163039177

SuperNatural Ⅲ: SN0172339-01

NPASS: NPC169431

Properties Information

Molecule Weight: 353.37400000000014

TPSA: 69.51

MolLogP: 2.665800000000001

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