(Q104966403)

English

2-[4-[[(1S)-7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-(methoxymethyl)phenol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

isoquinoline alkaloid

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mass

640.314851748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₄N₂O₇

0 references

canonical SMILES

OC1=CC=C(C=C1OC2=CC=C(C=C2)CC3C4=CC(OC=5C(OC)=C(OC)C=C6C5CN(C)CC6)=C(OC)C=C4CCN3C)COC

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isomeric SMILES

COCc1ccc(O)c(Oc2ccc(C[C@H]3c4cc(Oc5c6c(cc(OC)c5OC)CCN(C)C6)c(OC)cc4CCN3C)cc2)c1

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found in taxon

Berberis brandisiana

1 reference

stated in

(-)-Natalamine, an Aporphinoid Alkaloid from Berberis empetrifolia

Identifiers

InChI

InChI=1S/C38H44N2O7/c1-39-15-13-27-20-36(44-5)38(45-6)37(30(27)22-39)47-35-21-29-26(19-34(35)43-4)14-16-40(2)31(29)17-24-7-10-28(11-8-24)46-33-18-25(23-42-3)9-12-32(33)41/h7-12,18-21,31,41H,13-17,22-23H2,1-6H3/t31-/m0/s1

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InChIKey

CNXCXCAFBUHFSD-HKBQPEDESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CNXCXCAFBUHFSD-HKBQPEDESA-N

(Q104966403)

2-[4-[[(1S)-7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-(methoxymethyl)phenol

Statements

Identifiers

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