Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22223
- Core Entity Id
- 27884
- Source Entity Count
- 1
- Preferred Name
- Iodo tyrosine
- Name En
- Pubchem Id
- 3032857
- Smiles Canonical
- C1=CC(=CC=C1CC(C(=O)O)NI)O
- Molecular Formula
- C9H10INO3
- Molecular Weight
- 307.0870
- Inchikey
- ZLVYMPOQNJTFSG-QMMMGPOBSA-N
- Inchi
- InChI=1S/C9H10INO3/c10-11-8(9(13)14)5-6-1-3-7(12)4-2-6/h1-4,8,11-12H,5H2,(H,13,14)/t8-/m0/s1
- Isomeric Smiles
- C1=CC(=CC=C1C[C@@H](C(=O)O)NI)O
- Cas Id
- Ob Score
- Mol Logp
- 1.3275
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Iodo Tyrosine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Iodo Tyrosine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Iodo tyrosine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Iodo tyrosine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
iodo tyrosine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
L-Tyrosine, iodo-
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Tyrosine, iodo-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL55972
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL55972
Role
alias
Source
HERB_v2
Preferred
No
Name
ZLVYMPOQNJTFSG-QMMMGPOBSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZLVYMPOQNJTFSG-QMMMGPOBSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
L-Tyrosine, iodo-SCHEMBL55972ZLVYMPOQNJTFSG-QMMMGPOBSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030249
Tcmid
24991
Sym Map
SMIT24608
Pub Chem
3032857
Tcmbank
TCMBANKIN003780
Itcmdb Generated
ITX-INGREDIENT-F05D73E354D9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H10INO3/c10-11-8(9(13)14)5-6-1-3-7(12)4-2-6/h1-4,8,11-12H,5H2,(H,13,14)/t8-/m0/s1
Mol Wt
307.087
Smiles
C1=CC(=CC=C1CC(C(=O)O)NI)O
Mol Log P
1.327499999999999
Version
v2
In Ch Ikey
ZLVYMPOQNJTFSG-QMMMGPOBSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.58
Num Hacceptors
3
Isomeric Smiles
C1=CC(=CC=C1C[C@@H](C(=O)O)NI)O
Canonical Smiles
C1=CC(=CC=C1CC(C(=O)O)NI)O
Herb Alias Names
L-Tyrosine, iodo-SCHEMBL55972ZLVYMPOQNJTFSG-QMMMGPOBSA-N
Molecular Weight
307.08 g/mol
Molecular Formula
C9H10INO3
Molecular Formula
C9H10INO3
Num Rotatable Bonds
4