Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38944
- Core Entity Id
- 69124
- Source Entity Count
- 1
- Preferred Name
- 16-hydroxy-l-tryptophan
- Name En
- Pubchem Id
- 163008907
- Smiles Canonical
- C[C@@H](CO)[C@]12O[C@H]1[C@H](C)[C@@]13O[C@@]14CCC1=C(COC1=O)[C@@H]4C[C@@H]1O[C@@]13[C@@H]2O
- Molecular Formula
- C20H24O7
- Molecular Weight
- 376.1500
- Inchikey
- NFGOHYJHDNTTSQ-GTXPQZDOSA-N
- Inchi
- InChI=1S/C20H24O7/c1-8(6-21)18-14(26-18)9(2)20-17(27-20)4-3-10-11(7-24-15(10)22)12(17)5-13-19(20,25-13)16(18)23/h8-9,12-14,16,21,23H,3-7H2,1-2H3/t8-,9-,12-,13-,14-,16+,17+,18-,19+,20+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.0000
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 104.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
16-Hydroxy-L-tryptophan
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
16-Hydroxy-L-tryptophan
Role
preferred
Source
TCMBank
Preferred
Yes
Name
16-hydroxy-l-tryptophan
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
16-hydroxy-l-tryptophan
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
刺痒黧豆
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CI YANG LI DOU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cowage VeIvet-bean
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
刺痒黧豆CI YANG LI DOUCowage VeIvet-bean
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001916
Tcmid
31286
Tcmbank
TCMBANKIN040018
Etcm Ingredient
16-Hydroxy-L-tryptophan
Itcmdb Generated
ITX-INGREDIENT-0513C4DDBA22
Attributes
Merged source attributes and domain-specific metadata.
Smiles
C1([H])([H])C([H])([H])[C@]2([C@](O2)([C@@]([H])(C([H])([H])[H])[C@]([H])(O3)[C@@]3([C@@]([H])(C([H])([H])[H])C([H])([H])O[H])[C@@]4([H])O[H])[C@@]4(O5)[C@]5([H])C6([H])[H])[C@]6([H])C(C([H])([H])OC7=
O)=C17
Tcm Name
刺痒黧豆
Tcm Name2
CI YANG LI DOU
Mol2 Path
/TCM_database/2003_3d_all/4202.mol2
Reference
658
Tcm Name En
Cowage VeIvet-bean
Molecular Weight
376.150
Molecular Formula
C20H24O7
Molecular Formula
C20H24O7
Molecular Formula
C20H24O7
Fda Maximum Daily Dose (Fdamdd)
0.975
Quantitative Estimate Of Drug Likeness（Qed）
0.656