Summary

IMPPAT Phytochemical identifier: IMPHY001476

Phytochemical name: 3,6-Dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-4,7-diol

Synonymous chemical names:
salutaridinol

External chemical identifiers:
CID:16048621, ChEBI:26600

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Chemical structure information

SMILES:
COC1=C[C@@]23CCN([C@@H](C2=CC1O)Cc1c3c(O)c(cc1)OC)C

InChI:
InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13-14,21-22H,6-8H2,1-3H3/t13-,14?,19+/m1/s1

InChIKey:
LLSADFZHWMEBHH-QWYDSHIESA-N

DeepSMILES:
COC=C[C@@]CCN[C@@H]C6=CC%10O))))Ccc8cO)ccc6))OC))))))))C

Functional groups:
CC=C(C)C, CN(C)C, CO, COC(C)=CC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCNC(Cc4ccccc42)C3=CC1

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC23CCCCC13

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC23CCCCC13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Morphinan alkaloids

NP-Likeness score: 2.315

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Chemical structure download