Summary

IMPPAT Phytochemical identifier: IMPHY004885

Phytochemical name: Morphine

Synonymous chemical names:
morphine, morphine,ban

External chemical identifiers:
CID:5288826, ChEMBL:CHEMBL70, ChEBI:17303, ZINC:ZINC000003812983, FDASRS:76I7G6D29C, SureChEMBL:SCHEMBL2997

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Chemical structure information

SMILES:
O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O

InChI:
InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1

InChIKey:
BQJCRHHNABKAKU-KBQPJGBKSA-N

DeepSMILES:
O[C@H]C=C[C@@H][C@][C@H]6Occ5cC[C@H]9NCC%11))C))))ccc6O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3Cc4cccc5c4C2(CCN3)C(C1)O5

Scaffold Graph/Node level:
C1CC2CC3NCCC45C(CCCC34)OC(C1)C25

Scaffold Graph level:
C1CC2CC3CCCC45C(CCCC34)CC(C1)C25

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Morphinans

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Morphinan alkaloids

NP-Likeness score: 2.589

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Chemical structure download