Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19838
- Core Entity Id
- 25231
- Source Entity Count
- 1
- Preferred Name
- Ganoder purine
- Name En
- Pubchem Id
- 131594
- Smiles Canonical
- CC(=O)CC(C)(C)N1C=NC2=C(N=CN=C21)N
- Molecular Formula
- C11H15N5O
- Molecular Weight
- 233.2750
- Inchikey
- SQCBZEQJJGPSQM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H15N5O/c1-7(17)4-11(2,3)16-6-15-8-9(12)13-5-14-10(8)16/h5-6H,4H2,1-3H3,(H2,12,13,14)
- Isomeric Smiles
- CC(=O)CC(C)(C)N1C=NC2=C(N=CN=C21)N
- Cas Id
- Ob Score
- Mol Logp
- 1.1227
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ganoder Purine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ganoder purine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ganoder purine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ganoderpurine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ganoderpurine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
宝盖灵芝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAO GAI LING ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cape Ganoderma
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
133086-82-5
Role
alias
Source
HERB_v2
Preferred
No
Name
133086-82-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Pentanone, 4-(6-amino-9H-purin-9-yl)-4-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Pentanone, 4-(6-amino-9H-purin-9-yl)-4-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(6-aminopurin-9-yl)-4-methylpentan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(6-aminopurin-9-yl)-4-methylpentan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID7080439
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID7080439
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60157948
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60157948
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ganoderpurine
Role
alias
Source
HERB_v2
Preferred
No
Name
Ganoderpurine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N(9)-(alpha,alpha-Dimethyl-gamma-oxobutyl)adenine
Role
alias
Source
HERB_v2
Preferred
No
Name
N(9)-(alpha,alpha-Dimethyl-gamma-oxobutyl)adenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ganodepurine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
ganodepurine
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Ganoderpurine宝盖灵芝BAO GAI LING ZHICape Ganoderma133086-82-52-Pentanone, 4-(6-amino-9H-purin-9-yl)-4-methyl-4-(6-aminopurin-9-yl)-4-methylpentan-2-oneDTXCID7080439DTXSID60157948N(9)-(alpha,alpha-Dimethyl-gamma-oxobutyl)adenineGanodepurine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027312HBIN027216
Npass
NPC197110
Tcmid
2338631004371518191
Sym Map
SMIT01729SMIT24053
Tcm Id
4163
Pub Chem
131594
Tcmbank
TCMBANKIN020902TCMBANKIN021957TCMBANKIN005768
Etcm Ingredient
ganoderpurine
Itcmdb Generated
ITX-INGREDIENT-2B753924AE6AITX-INGREDIENT-45EBCD0D055FITX-INGREDIENT-B04D8B793D4A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H15N5O/c1-7(17)4-11(2,3)16-6-15-8-9(12)13-5-14-10(8)16/h5-6H,4H2,1-3H3,(H2,12,13,14)
Mol Wt
233.275
Smiles
CC(=O)CC(C)(C)N1C=NC2=C(N=CN=C21)N
Mol Log P
1.1227
Version
v2
In Ch Ikey
SQCBZEQJJGPSQM-UHFFFAOYSA-N
Suppress
0
Tcm Name
宝盖灵芝
Tcm Name2
BAO GAI LING ZHI
Mol2 Path
/TCM_database/2007_3d_all/08192.mol2
Reference
164
Num Hdonors
1
Tcm Name En
Cape Ganoderma
Drug Likeness
0.858
Num Hacceptors
6
Isomeric Smiles
CC(=O)CC(C)(C)N1C=NC2=C(N=CN=C21)N
Canonical Smiles
CC(=O)CC(C)(C)N1C=NC2=C(N=CN=C21)N
Herb Alias Names
Ganoderpurine133086-82-5DTXSID60157948N(9)-(alpha,alpha-Dimethyl-gamma-oxobutyl)adenine2-Pentanone, 4-(6-amino-9H-purin-9-yl)-4-methyl-4-(6-aminopurin-9-yl)-4-methylpentan-2-oneDTXCID7080439
Molecular Weight
233.130
Molecular Weight
233.27 g/mol
Molecular Formula
C11H15N5O
Molecular Formula
C11H15N5O
Molecular Formula
C11H15N5O
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.061
Quantitative Estimate Of Drug Likeness（Qed）
0.827