Summary

IMPPAT Phytochemical identifier: IMPHY005215

Phytochemical name: 10-Hydroxy-11-methoxyaporphine hydrochloride

Synonymous chemical names:
2-hydroxy-1-methoxyaporphine

External chemical identifiers:
CID:217213

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Chemical structure information

SMILES:
COc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3.Cl

InChI:
InChI=1S/C18H19NO2.ClH/c1-19-9-8-11-4-3-5-13-16(11)14(19)10-12-6-7-15(20)18(21-2)17(12)13;/h3-7,14,20H,8-10H2,1-2H3;1H/t14-;/m1./s1

InChIKey:
DDUUROFDEOZAKA-PFEQFJNWSA-N

DeepSMILES:
COccO)cccc6-cccccc6[C@@H]C%10)NC)CC6.Cl

Functional groups:
CN(C)C, Cl, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 1.447

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Chemical structure download