Ancistrobrevine B

AlkaPlorer ID: AK287872

Synonym: None

IUPAC Name: 5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol

Structure

SMILES: COC1=CC(O)=C(C2=CC=C(OC)C3=C(OC)C=C(C)C=C23)C2=C1C(C)NC(C)C2

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InChI: InChI=1S/C25H29NO4/c1-13-9-17-16(7-8-20(28-4)25(17)21(10-13)29-5)24-18-11-14(2)26-15(3)23(18)22(30-6)12-19(24)27/h7-10,12,14-15,26-27H,11H2,1-6H3

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InChIKey: XVHCBOXBWSMNHG-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 407.51000000000016

TPSA: 59.95

MolLogP: 5.141820000000004

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information