Ancistrotectorine

AlkaPlorer ID: AK005318

Synonym: ''

IUPAC Name: 2-[(1R,3R)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol

Structure

SMILES: COC1=C(C2=C(C)C=C3C=CC=C(OC)C3=C2O)C(OC)=C2C(=C1)C[C@@H](C)N(C)[C@@H]2C

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InChI: InChI=1S/C26H31NO4/c1-14-11-17-9-8-10-19(29-5)23(17)25(28)21(14)24-20(30-6)13-18-12-15(2)27(4)16(3)22(18)26(24)31-7/h8-11,13,15-16,28H,12H2,1-7H3/t15-,16-/m1/s1

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InChIKey: BHQAJMGEYYHIGV-HZPDHXFCSA-N

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Properties Information

Molecule Weight: 421.5370000000002

TPSA: 51.16

MolLogP: 5.484020000000005

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information