(12R)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaene

AlkaPlorer ID: AK134122

Synonym: None

IUPAC Name: (12R)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene

Structure

SMILES: COC1=CC=C2C[C@H]3NCCC4=CC5=C(OCO5)C(=C43)C2=C1

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InChI: InChI=1S/C18H17NO3/c1-20-12-3-2-10-6-14-16-11(4-5-19-14)7-15-18(22-9-21-15)17(16)13(10)8-12/h2-3,7-8,14,19H,4-6,9H2,1H3/t14-/m1/s1

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InChIKey: RXJUIQSLHGASSV-CQSZACIVSA-N

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Reference

PubChem CID: 191752

CAS: 65012-41-1

SuperNatural Ⅲ: SN0337812-02

NPASS: NPC264533

Properties Information

Molecule Weight: 295.338

TPSA: 39.72

MolLogP: 2.833800000000001

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information