Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19841
- Core Entity Id
- 25234
- Source Entity Count
- 1
- Preferred Name
- Ganoine
- Name En
- Pubchem Id
- 131592
- Smiles Canonical
- CC(C)CCN1C(=CC=C1C=O)CO
- Molecular Formula
- C11H17NO2
- Molecular Weight
- 195.2620
- Inchikey
- QFUKUPZJJSMEGE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H17NO2/c1-9(2)5-6-12-10(7-13)3-4-11(12)8-14/h3-4,7,9,14H,5-6,8H2,1-2H3
- Isomeric Smiles
- CC(C)CCN1C(=CC=C1C=O)CO
- Cas Id
- Ob Score
- Mol Logp
- 1.8390
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ganoine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ganoine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ganoine
Role
preferred
Source
HERB_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
1-Isopentyl-2-formyl-5-hydroxymethylpyrrole
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Isopentyl-2-formyl-5-hydroxymethylpyrrole
Role
alias
Source
HERB_v2
Preferred
No
Name
133086-80-3
Role
alias
Source
HERB_v2
Preferred
No
Name
133086-80-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(3-methylbutyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(3-methylbutyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-(hydroxymethyl)-1-(3-methylbutyl)pyrrole-2-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
5-(hydroxymethyl)-1-(3-methylbutyl)pyrrole-2-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID7080437
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID7080437
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40157946
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40157946
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ganoderma alkaloid A
Role
alias
Source
HERB_v2
Preferred
No
Name
Ganoderma alkaloid A
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Isopentyl-5-hydroxymethylpyrryl aldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Isopentyl-5-hydroxymethylpyrryl aldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5001070
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5001070
Role
alias
Source
itcmdb_public
Preferred
No
Name
ganoine i
Role
alias
Source
TCMBank
Preferred
No
Name
ganonine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
宝盖灵芝BAO GAI LING ZHICape Ganoderma1-Isopentyl-2-formyl-5-hydroxymethylpyrrole133086-80-31H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(3-methylbutyl)-5-(hydroxymethyl)-1-(3-methylbutyl)pyrrole-2-carbaldehydeDTXCID7080437DTXSID40157946Ganoderma alkaloid AN-Isopentyl-5-hydroxymethylpyrryl aldehydeSCHEMBL5001070ganoine iganonine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027315HBIN027316HBIN027325
Npass
NPC4038
Tcmid
24403310058193
Sym Map
SMIT02119
Tcm Id
4162
Pub Chem
131592
Tcmbank
TCMBANKIN017369TCMBANKIN059264
Itcmdb Generated
ITX-INGREDIENT-D68AB13E27F2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H17NO2/c1-9(2)5-6-12-10(7-13)3-4-11(12)8-14/h3-4,7,9,14H,5-6,8H2,1-2H3
Mol Wt
195.262
Smiles
CC(C)CCN1C(=CC=C1C=O)CO
Mol Log P
1.839
In Ch Ikey
QFUKUPZJJSMEGE-UHFFFAOYSA-N
Tcm Name
宝盖灵芝
Tcm Name2
BAO GAI LING ZHI
Mol2 Path
/TCM_database/2007_3d_all/08194.mol2
Reference
164
Num Hdonors
1
Tcm Name En
Cape Ganoderma
Drug Likeness
0.728
Num Hacceptors
3
Isomeric Smiles
CC(C)CCN1C(=CC=C1C=O)CO
Canonical Smiles
CC(C)CCN1C(=CC=C1C=O)CO
Herb Alias Names
Ganoderma alkaloid A133086-80-3N-Isopentyl-5-hydroxymethylpyrryl aldehyde5-(hydroxymethyl)-1-(3-methylbutyl)pyrrole-2-carbaldehyde1-Isopentyl-2-formyl-5-hydroxymethylpyrroleDTXSID401579461H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(3-methylbutyl)-SCHEMBL5001070DTXCID7080437
Molecular Weight
195.26 g/mol
Molecular Formula
C11H17NO2
Molecular Formula
C11H17NO2
Num Rotatable Bonds
5