Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8425
- Core Entity Id
- 12534
- Source Entity Count
- 1
- Preferred Name
- 7-hydroxybiopterin
- Name En
- Pubchem Id
- 6325360
- Smiles Canonical
- CC(C(C1=NC2=C(NC1=O)NC(=NC2=O)N)O)O
- Molecular Formula
- C9H11N5O4
- Molecular Weight
- 253.2180
- Inchikey
- IZMMJLZUJAZKES-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H11N5O4/c1-2(15)5(16)3-7(17)12-6-4(11-3)8(18)14-9(10)13-6/h2,5,15-16H,1H3,(H4,10,12,13,14,17,18)
- Isomeric Smiles
- CC(C(C1=NC2=C(NC1=O)NC(=NC2=O)N)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.9972
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Hydroxybiopterin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-Hydroxybiopterin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-hydroxybiopterin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-hydroxybiopterin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-hydroxybiopterin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013270
Npass
NPC10437
Tcmid
9852
Sym Map
SMIT21973
Tcm Id
21434
Pub Chem
6325360
Tcmbank
TCMBANKIN020845
Etcm Ingredient
7-Hydroxybiopterin
Itcmdb Generated
ITX-INGREDIENT-A2A76766E0C0ITX-INGREDIENT-BE54CED58870
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H11N5O4/c1-2(15)5(16)3-7(17)12-6-4(11-3)8(18)14-9(10)13-6/h2,5,15-16H,1H3,(H4,10,12,13,14,17,18)
Mol Wt
253.218
Smiles
CC(C(C1=NC2=C(NC1=O)NC(=NC2=O)N)O)O
Mol Log P
-1.997199999999999
Version
v2
In Ch Ikey
IZMMJLZUJAZKES-UHFFFAOYSA-N
Suppress
0
Num Hdonors
5
Drug Likeness
0.414
Num Hacceptors
7
Isomeric Smiles
CC(C(C1=NC2=C(NC1=O)NC(=NC2=O)N)O)O
Canonical Smiles
CC(C(C1=NC2=C(NC1=O)NC(=NC2=O)N)O)O
Molecular Weight
253.080
Molecular Weight
0
Molecular Formula
C9H11N5O4
Molecular Formula
C9H11N5O4
Molecular Formula
C9H11N5O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.359