ITCMDBv1
IngredientID 32090

(r)-reticuline

C19H23NO4

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 12Ingredient: 1Target: 12Links: 24
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
32090
Core Entity Id
38858
Source Entity Count
1
Preferred Name
(r)-reticuline
Name En
Pubchem Id
440586
Smiles Canonical
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
Molecular Formula
C19H23NO4
Molecular Weight
329.3960
Inchikey
BHLYRWXGMIUIHG-OAHLLOKOSA-N
Inchi
InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m1/s1
Isomeric Smiles
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)O)OC
Cas Id
3968-19-2
Ob Score
3.2220
Mol Logp
2.8867
Num H Donors
2
Num H Acceptors
5
Num Rotatable Bonds
4
Drug Likeness
0.9030
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
(R)-Reticuline
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(R)-Reticuline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(R)-Reticuline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(r)-reticuline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(r)-reticuline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-reticuline
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-reticuline
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-reticuline
Role
alias
Source
TCMBank
Preferred
No
Name
(1R)-1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R)-1-(3-hydroxy-4-methoxy-benzyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-(-)-reticuline
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-Reticuline (>80% ee)
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-Reticuline (>80% ee)
Role
alias
Source
HERB_v2
Preferred
No
Name
3968-19-2
Role
alias
Source
HERB_v2
Preferred
No
Name
3968-19-2
Role
alias
Source
TCMBank
Preferred
No
Name
3968-19-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
C05178
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:17428
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:17428
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:17428
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Reticuline
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Reticuline
Role
alias
Source
itcmdb_public
Preferred
No
Name
R-RETICULINE
Role
alias
Source
HERB_v2
Preferred
No
Name
R-RETICULINE
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(-)-reticuline(1R)-1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol(1R)-1-(3-hydroxy-4-methoxy-benzyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol(1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol(R)-(-)-reticuline(R)-Reticuline (>80% ee)3968-19-2C05178CHEBI:17428L-ReticulineR-RETICULINE

Cross References

Trusted external identifiers retained for this final record.

Cas
3968-19-2
Herb
HBIN042503
Npass
NPC428
Tcmsp
MOL008797
Sym Map
SMIT10020
Pub Chem
440586
Tcmbank
TCMBANKIN029097

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m1/s1
Mol Wt
329.396
Cas Id
3968-19-2
Smiles
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
Mol Log P
2.886700000000003
Version
v1,v2
In Ch Ikey
BHLYRWXGMIUIHG-OAHLLOKOSA-N
Ob Score
3.2223.222073.222070213
Suppress
0
Num Hdonors
2
Drug Likeness
0.903
Num Hacceptors
5
Isomeric Smiles
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)O)OC
Molecule Weight
329.43
Canonical Smiles
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
Herb Alias Names
3968-19-2L-Reticuline(-)-reticulineR-RETICULINE(R)-(-)-reticuline(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol(R)-Reticuline (>80% ee)CHEBI:17428(1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Molecular Weight
329.39
Molecular Formula
C19H23NO4
Molecular Formula
C19H23NO4
Num Rotatable Bonds
4