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
- 17638
- Core Entity Id
- 22776
- Source Entity Count
- 1
- Preferred Name
- Dtr
- Name En
- Pubchem Id
- 9060
- Smiles Canonical
- C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
- Molecular Formula
- C11H12N2O2
- Molecular Weight
- 204.2290
- Inchikey
- QIVBCDIJIAJPQS-SECBINFHSA-N
- Inchi
- InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
- Isomeric Smiles
- C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)N
- Cas Id
- 153-94-6
- Ob Score
- 75.6275
- Mol Logp
- 1.1223
- Num H Donors
- 3
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dtr
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
DTR
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dtr
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dtr
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dtr
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-Tryptophan
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Tryptophan
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Tryptophan
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-amino-3-(1H-indol-3-yl)propionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-2-Amino-3-(3-indolyl)propionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-Tryptophan
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-Tryptophan
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-Tryptophan
Role
alias
Source
itcmdb_public
Preferred
No
Name
153-94-6
Role
alias
Source
TCMBank
Preferred
No
Name
153-94-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
153-94-6
Role
alias
Source
HERB_v2
Preferred
No
Name
93670_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
C00525
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:16296
Role
alias
Source
TCMBank
Preferred
No
Name
D-TRYPTOPHANE
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-TRYPTOPHANE
Role
alias
Source
TCMBank
Preferred
No
Name
D-TRYPTOPHANE
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Tryptophan
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Tryptophan
Role
alias
Source
TCMBank
Preferred
No
Name
D-Tryptophan
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Trytophane
Role
alias
Source
TCMBank
Preferred
No
Name
D-Trytophane
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Trytophane
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-alpha-Amino-3-indolepropionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 205-819-9
Role
alias
Source
TCMBank
Preferred
No
Name
H-D-Trp-OH
Role
alias
Source
HERB_v2
Preferred
No
Name
H-D-Trp-OH
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s
Role
alias
Source
TCMBank
Preferred
No
Name
MLS000069477
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00093372-02
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 97942
Role
alias
Source
TCMBank
Preferred
No
Name
SBB015044
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000059103
Role
alias
Source
TCMBank
Preferred
No
Name
T9753_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
TRP NH3+ COOH
Role
alias
Source
TCMBank
Preferred
No
Name
Tryptophan, D-
Role
alias
Source
HERB_v2
Preferred
No
Name
Tryptophan, D-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Tryptophan(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid(2R)-2-amino-3-(1H-indol-3-yl)propionic acid(R)-2-Amino-3-(3-indolyl)propionic acid(R)-Tryptophan153-94-693670_FLUKAC00525CHEBI:16296D-TRYPTOPHANED-TryptophanD-TrytophaneD-alpha-Amino-3-indolepropionic acidEINECS 205-819-9H-D-Trp-OHInChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/sMLS000069477NCGC00093372-02NSC 97942SBB015044SMR000059103T9753_SIGMATRP NH3+ COOHTryptophan, D-
Cross References
Trusted external identifiers retained for this final record.
Cas
153-94-6
Herb
HBIN024532
Tcmsp
MOL004710
Sym Map
SMIT06575
Pub Chem
9060
Tcmbank
TCMBANKIN033283
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
Mol Wt
204.229
Cas Id
153-94-6
Smiles
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
Mol Log P
1.1223
Version
v1,v2
In Ch Ikey
QIVBCDIJIAJPQS-SECBINFHSA-N
Ob Score
75.6275445375.62754575.628
Suppress
0
Num Hdonors
3
Drug Likeness
0.701
Num Hacceptors
2
Isomeric Smiles
C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)N
Molecule Weight
204.25
Canonical Smiles
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
Herb Alias Names
D-Tryptophan153-94-6H-D-Trp-OHD(+)-Tryptophan(R)-TryptophanD-TRYPTOPHANE(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid(+)-TryptophanD-TrytophaneTryptophan, D-
Molecular Weight
204.23
Molecular Formula
C11H12N2O2
Molecular Formula
C11H12N2O2
Num Rotatable Bonds
3