Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 8Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3152
- Core Entity Id
- 6691
- Source Entity Count
- 1
- Preferred Name
- 3,3',5'-triiodothyronine
- Name En
- Pubchem Id
- 644280
- Smiles Canonical
- C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C(=C2)I)O)I
- Molecular Formula
- C15H12I3NO4
- Molecular Weight
- 650.9760
- Inchikey
- HZCBWYNLGPIQRK-LBPRGKRZSA-N
- Inchi
- InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1
- Isomeric Smiles
- C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)OC2=CC(=C(C(=C2)I)O)I
- 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
3,3',5'-triiodothyronine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,3',5'-triiodothyronine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,3',5'-triiodothyronine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(S)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl)propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3,3',5'-Triiodo-L-thyronine
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3',5'-Triiodo-L-thyronine
Role
alias
Source
HERB_v2
Preferred
No
Name
5817-39-0
Role
alias
Source
HERB_v2
Preferred
No
Name
5817-39-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:11684
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:11684
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isoliothyronine
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoliothyronine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-
Role
alias
Source
itcmdb_public
Preferred
No
Name
REVERSE TRIIODOTHYRONINE
Role
alias
Source
HERB_v2
Preferred
No
Name
REVERSE TRIIODOTHYRONINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Reverse T3
Role
alias
Source
HERB_v2
Preferred
No
Name
Reverse T3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Triiodothyronine, reverse
Role
alias
Source
HERB_v2
Preferred
No
Name
Triiodothyronine, reverse
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(S)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl)propanoic acid3,3',5'-Triiodo-L-thyronine5817-39-0CHEBI:11684IsoliothyronineL-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-REVERSE TRIIODOTHYRONINEReverse T3Triiodothyronine, reverse
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007145
Tcmid
21851
Pub Chem
644280
Tcmbank
TCMBANKIN002083
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1
Mol Wt
650.9760000000001
Smiles
C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C(=C2)I)O)I
Mol Log P
3.952700000000001
In Ch Ikey
HZCBWYNLGPIQRK-LBPRGKRZSA-N
Num Hdonors
3
Drug Likeness
0.427
Num Hacceptors
4
Isomeric Smiles
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)OC2=CC(=C(C(=C2)I)O)I
Canonical Smiles
C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C(=C2)I)O)I
Herb Alias Names
5817-39-03,3',5'-Triiodo-L-thyronineReverse T3REVERSE TRIIODOTHYRONINE(S)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl)propanoic acidIsoliothyronineTriiodothyronine, reverseCHEBI:11684L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-
Molecular Weight
650.97 g/mol
Molecular Formula
C15H12I3NO4
Molecular Formula
C15H12I3NO4
Num Rotatable Bonds
5