(13S)-18-methoxy-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-heptaene-13,16-diol

AlkaPlorer ID: AK127950

Synonym: None

IUPAC Name: (13S)-18-methoxy-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-heptaene-13,16-diol

Structure

SMILES: COC1=CC(O)=CC2=C1C1=C3OCOC3=CC3=C1C(=NCC3)[C@@]2(C)O

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InChI: InChI=1S/C19H17NO5/c1-19(22)11-6-10(21)7-12(23-2)15(11)16-14-9(3-4-20-18(14)19)5-13-17(16)25-8-24-13/h5-7,21-22H,3-4,8H2,1-2H3/t19-/m0/s1

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InChIKey: FJYTXXBFGIOJGK-IBGZPJMESA-N

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Reference

PubChem CID: 162919318

SuperNatural Ⅲ: SN0087761-01

NPASS: NPC100076

Properties Information

Molecule Weight: 339.3470000000001

TPSA: 80.51

MolLogP: 2.3628000000000005

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information