Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 2Experiment: 1Herb: 1Ingredient: 1Meta-analysis: 2Reference: 7Target: 12Links: 25
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3488
- Core Entity Id
- 7062
- Source Entity Count
- 1
- Preferred Name
- 3,5,3'-triiodothyronine
- Name En
- Pubchem Id
- 5920
- Smiles Canonical
- C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O
- Molecular Formula
- C15H12I3NO4
- Molecular Weight
- 650.9760
- Inchikey
- AUYYCJSJGJYCDS-LBPRGKRZSA-N
- Inchi
- InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
- Isomeric Smiles
- C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O
- Cas Id
- Ob Score
- Mol Logp
- 3.9527
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5,3'-triiodothyronine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,5,3'-triiodothyronine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,5,3'-triiodothyronine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,3',5-Triiodo-L-thyronine
Role
alias
Source
HERB_v2
Preferred
No
Name
3,3',5-Triiodo-L-thyronine
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,3'-Triiodo-L-thyronine
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,3'-Triiodo-L-thyronine
Role
alias
Source
HERB_v2
Preferred
No
Name
6893-02-3
Role
alias
Source
HERB_v2
Preferred
No
Name
6893-02-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Liothyronin
Role
alias
Source
HERB_v2
Preferred
No
Name
Liothyronin
Role
alias
Source
itcmdb_public
Preferred
No
Name
T3
Role
alias
Source
HERB_v2
Preferred
No
Name
T3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tresitope
Role
alias
Source
HERB_v2
Preferred
No
Name
Tresitope
Role
alias
Source
itcmdb_public
Preferred
No
Name
liothyronine
Role
alias
Source
HERB_v2
Preferred
No
Name
liothyronine
Role
alias
Source
itcmdb_public
Preferred
No
Name
triiodothyronine
Role
alias
Source
HERB_v2
Preferred
No
Name
triiodothyronine
Role
alias
Source
itcmdb_public
Preferred
No
Name
triothyrone
Role
alias
Source
HERB_v2
Preferred
No
Name
triothyrone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,3',5-Triiodo-L-thyronine3,5,3'-Triiodo-L-thyronine6893-02-3LiothyroninT3Tresitopeliothyroninetriiodothyroninetriothyrone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007532
Tcmid
21852
Pub Chem
5920
Tcmbank
TCMBANKIN028078
Drug Bank
DB00279
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
Mol Wt
650.9760000000001
Smiles
C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O
Mol Log P
3.952700000000001
In Ch Ikey
AUYYCJSJGJYCDS-LBPRGKRZSA-N
Num Hdonors
3
Drug Likeness
0.427
Num Hacceptors
4
Isomeric Smiles
C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O
Canonical Smiles
C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O
Herb Alias Names
liothyroninetriiodothyronine3,3',5-Triiodo-L-thyronine6893-02-3LiothyroninTresitope3,5,3'-Triiodo-L-thyronineT3triothyrone
Molecular Weight
650.97 g/mol
Molecular Formula
C15H12I3NO4
Molecular Formula
C15H12I3NO4
Num Rotatable Bonds
5