IngredientID 26670

Morphine

C17H19NO3

Relationship Network

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Experiment: 12Herb: 12Ingredient: 1Target: 12Links: 36

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 26670
Core Entity Id: 32834
Source Entity Count: 1
Preferred Name: Morphine
Name En
Pubchem Id: 5288826
Smiles Canonical: CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O
Molecular Formula: C17H19NO3
Molecular Weight: 285.3430
Inchikey: BQJCRHHNABKAKU-KBQPJGBKSA-N
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
Isomeric Smiles: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
Cas Id: 57-27-2
Ob Score: 24.6939
Mol Logp: 1.1981
Num H Donors: 2
Num H Acceptors: 4
Num Rotatable Bonds: 0
Drug Likeness: 0.7030
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Morphine

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Morphine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Morphine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Morphine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Morphine

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

morphine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(-)(5.alpha.,6.alpha.)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol

Role

alias

Source

TCMBank

Preferred

Name

(-)-Morphine

Role

alias

Source

itcmdb_public

Preferred

Name

(-)-Morphine

Role

alias

Source

TCMBank

Preferred

Name

(-)-Morphine

Role

alias

Source

HERB_v2

Preferred

Name

(-)Morphine sulfate

Role

alias

Source

TCMBank

Preferred

Name

(5R,6S,9R,13S,14R)-4,5-Epoxy-N-methyl-7-morphinen-3,6-diol

Role

alias

Source

TCMBank

Preferred

Name

(5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol

Role

alias

Source

TCMBank

Preferred

Name

(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL

Role

alias

Source

TCMBank

Preferred

Name

17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol

Role

alias

Source

TCMBank

Preferred

Name

4,5alpha-Epoxy-17-methyl-7-morphinen-3,6alpha-diol

Role

alias

Source

TCMBank

Preferred

Name

47106-99-0

Role

alias

Source

TCMBank

Preferred

Name

57-27-2

Role

alias

Source

itcmdb_public

Preferred

Name

57-27-2

Role

alias

Source

HERB_v2

Preferred

Name

57-27-2 (FREE BASE )

Role

alias

Source

TCMBank

Preferred

Name

64-31-3 (SULFATE)

Role

alias

Source

TCMBank

Preferred

Name

7,8-Didehydro-4,5-epoxy-17-methyl-morphinan-3,6-diol

Role

alias

Source

TCMBank

Preferred

Name

8053-16-5

Role

alias

Source

TCMBank

Preferred

Name

85201-37-2

Role

alias

Source

TCMBank

Preferred

Name

9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4a,5,7a,8-tetrahydro-12-methyl-

Role

alias

Source

TCMBank

Preferred

Name

9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4alpha,5,7alpha,8-tetrahydro-12-methyl-

Role

alias

Source

TCMBank

Preferred

Name

AIDS-001987

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 5762

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:17303

Role

alias

Source

TCMBank

Preferred

Name

Cube juice

Role

alias

Source

TCMBank

Preferred

Name

DEA No. 9300

Role

alias

Source

TCMBank

Preferred

Name

Dolcontin

Role

alias

Source

TCMBank

Preferred

Name

Dreamer

Role

alias

Source

TCMBank

Preferred

Name

Dulcontin

Role

alias

Source

TCMBank

Preferred

Name

Duromorph

Role

alias

Source

HERB_v2

Preferred

Name

Duromorph

Role

alias

Source

TCMBank

Preferred

Name

Duromorph

Role

alias

Source

itcmdb_public

Preferred

Name

EINECS 200-320-2

Role

alias

Source

TCMBank

Preferred

Name

HSDB 2134

Role

alias

Source

TCMBank

Preferred

Name

Hard stuff

Role

alias

Source

TCMBank

Preferred

Name

Hocus

Role

alias

Source

TCMBank

Preferred

Name

M-Eslon

Role

alias

Source

TCMBank

Preferred

Name

MOI

Role

alias

Source

TCMBank

Preferred

Name

MORPHINE, (5A,6A)-7,8-DIDEHYDRO-4,5-EPOXY-17-METHYLMORPHINIAN-3,6-DIOL, MORPHIUM, MORPHIA, DOLCONTIN, DUROMORPH, MORPHINA, NEPENTHE

Role

alias

Source

TCMBank

Preferred

Name

Meconium

Role

alias

Source

TCMBank

Preferred

Name

Morfina [Italian]

Role

alias

Source

TCMBank

Preferred

Name

Morphia

Role

alias

Source

HERB_v2

Preferred

Name

Morphia

Role

alias

Source

TCMBank

Preferred

Name

Morphia

Role

alias

Source

itcmdb_public

Preferred

Name

Morphin

Role

alias

Source

itcmdb_public

Preferred

Name

Morphin

Role

alias

Source

HERB_v2

Preferred

Name

Morphin

Role

alias

Source

TCMBank

Preferred

Name

Morphin [German]

Role

alias

Source

TCMBank

Preferred

Name

Morphina

Role

alias

Source

HERB_v2

Preferred

Name

Morphina

Role

alias

Source

itcmdb_public

Preferred

Name

Morphina

Role

alias

Source

TCMBank

Preferred

Name

Morphina [Italian]

Role

alias

Source

TCMBank

Preferred

Name

Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-

Role

alias

Source

TCMBank

Preferred

Name

Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-

Role

alias

Source

TCMBank

Preferred

Name

Morphinism

Role

alias

Source

TCMBank

Preferred

Name

Morphinum

Role

alias

Source

TCMBank

Preferred

Name

Morphinum

Role

alias

Source

itcmdb_public

Preferred

Name

Morphinum

Role

alias

Source

HERB_v2

Preferred

Name

Morphium

Role

alias

Source

TCMBank

Preferred

Name

Morphium

Role

alias

Source

itcmdb_public

Preferred

Name

Morphium

Role

alias

Source

HERB_v2

Preferred

Name

Morpho

Role

alias

Source

TCMBank

Preferred

Name

Moscontin

Role

alias

Source

TCMBank

Preferred

Name

Ms Emma

Role

alias

Source

TCMBank

Preferred

Name

NSC11441(SULFATE)

Role

alias

Source

TCMBank

Preferred

Name

Nepenthe

Role

alias

Source

TCMBank

Preferred

Name

Ospalivina

Role

alias

Source

TCMBank

Preferred

Name

Ospalivina

Role

alias

Source

itcmdb_public

Preferred

Name

Ospalivina

Role

alias

Source

HERB_v2

Preferred

Name

RMS

Role

alias

Source

TCMBank

Preferred

Name

Roxanol

Role

alias

Source

TCMBank

Preferred

Name

Statex SR

Role

alias

Source

TCMBank

Preferred

Name

Unkie

Role

alias

Source

TCMBank

Preferred

Name

l-Morphine

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

(-)(5.alpha.,6.alpha.)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol(-)-Morphine(-)Morphine sulfate(5R,6S,9R,13S,14R)-4,5-Epoxy-N-methyl-7-morphinen-3,6-diol(5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol4,5alpha-Epoxy-17-methyl-7-morphinen-3,6alpha-diol47106-99-057-27-257-27-2 (FREE BASE )64-31-3 (SULFATE)7,8-Didehydro-4,5-epoxy-17-methyl-morphinan-3,6-diol8053-16-585201-37-29H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4a,5,7a,8-tetrahydro-12-methyl-9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4alpha,5,7alpha,8-tetrahydro-12-methyl-AIDS-001987CCRIS 5762CHEBI:17303Cube juiceDEA No. 9300DolcontinDreamerDulcontinDuromorphEINECS 200-320-2HSDB 2134Hard stuffHocusM-EslonMOIMORPHINE, (5A,6A)-7,8-DIDEHYDRO-4,5-EPOXY-17-METHYLMORPHINIAN-3,6-DIOL, MORPHIUM, MORPHIA, DOLCONTIN, DUROMORPH, MORPHINA, NEPENTHEMeconiumMorfina [Italian]MorphiaMorphinMorphin [German]MorphinaMorphina [Italian]Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-MorphinismMorphinumMorphiumMorphoMoscontinMs EmmaNSC11441(SULFATE)NepentheOspalivinaRMSRoxanolStatex SRUnkiel-Morphine

Cross References

Trusted external identifiers retained for this final record.

Cas

57-27-2

Hit

C0226

Herb

HBIN035767

Npass

NPC232533

Tcmid

14973

Tcmsp

MOL006979

Sym Map

SMIT00256

Tcm Id

147551475614757147582544

Pub Chem

5288826

Tcmbank

TCMBANKIN028288

Etcm Ingredient

Morphine

Itcmdb Generated

ITX-INGREDIENT-92B7B3628831

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients,QC ingredients

In Ch I

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

Mol Wt

285.343

Cas Id

57-27-2

Smiles

CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O

Mol Log P

1.1981

Version

v1,v2

In Ch Ikey

BQJCRHHNABKAKU-KBQPJGBKSA-N

Ob Score

24.6939179124.69391824.694

Suppress

Num Hdonors

Drug Likeness

0.703

Num Hacceptors

Isomeric Smiles

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O

Molecule Weight

285.37

Canonical Smiles

CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O

Herb Alias Names

MorphiaMorphiumMorphinMorphinum(-)-MorphineMorphinaOspalivinaDuromorph57-27-2

Molecular Weight

285.140

Molecular Weight

285.34

Molecule Formula

C17H19NO3|C17H19O3N

Molecular Formula

C17H19NO3

Molecular Formula

C17H19NO3

Molecular Formula

C17H19NO3

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.885

Quantitative Estimate Of Drug Likeness（Qed）

0.703