(12R)-16,18-dimethoxy-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: AK003699

Synonym: None

IUPAC Name: (12R)-16,18-dimethoxy-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=CC2=C(C(OC)=C1)C1=C3OCOC3=CC3=C1[C@@H](C2)NCC3

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InChI: InChI=1S/C19H19NO4/c1-21-12-5-11-6-13-16-10(3-4-20-13)7-15-19(24-9-23-15)18(16)17(11)14(8-12)22-2/h5,7-8,13,20H,3-4,6,9H2,1-2H3/t13-/m1/s1

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InChIKey: RYQZFXDNXUJJOP-CYBMUJFWSA-N

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Reference

PubChem CID: 14604491

SuperNatural Ⅲ: SN0338845-01

NPASS: NPC92427

Properties Information

Molecule Weight: 325.3640000000001

TPSA: 48.95

MolLogP: 2.8424000000000005

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