Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23807
- Core Entity Id
- 29647
- Source Entity Count
- 1
- Preferred Name
- Kinganone
- Name En
- Pubchem Id
- 11775688
- Smiles Canonical
- CCCCOCC1=CC=C2N1CCCC2=O
- Molecular Formula
- C13H19NO2
- Molecular Weight
- 221.3000
- Inchikey
- FQSOULCUJFWKPP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H19NO2/c1-2-3-9-16-10-11-6-7-12-13(15)5-4-8-14(11)12/h6-7H,2-5,8-10H2,1H3
- Isomeric Smiles
- CCCCOCC1=CC=C2N1CCCC2=O
- Cas Id
- Ob Score
- Mol Logp
- 2.7813
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kinganone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Kinganone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Kinganone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Kinganone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
滇黄精
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DIAN HUANG JING
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
King Solomonseal
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
滇黄精DIAN HUANG JINGKing Solomonseal
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032195
Tcmid
12224
Pub Chem
11775688
Tcmbank
TCMBANKIN047400
Etcm Ingredient
Kinganone
Itcmdb Generated
ITX-INGREDIENT-75816ACE009D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H19NO2/c1-2-3-9-16-10-11-6-7-12-13(15)5-4-8-14(11)12/h6-7H,2-5,8-10H2,1H3
Mol Wt
221.2999999999999
Mol Log P
2.781300000000002
In Ch Ikey
FQSOULCUJFWKPP-UHFFFAOYSA-N
Tcm Name
滇黄精
Tcm Name2
DIAN HUANG JING
Mol2 Path
/TCM_database/2007_3d_all/12228.mol2
Reference
5484
Num Hdonors
0
Tcm Name En
King Solomonseal
Drug Likeness
0.716
Num Hacceptors
3
Isomeric Smiles
CCCCOCC1=CC=C2N1CCCC2=O
Canonical Smiles
CCCCOCC1=CC=C2N1CCCC2=O
Molecular Weight
221.140
Molecular Formula
C13H19NO2
Molecular Formula
C13H19NO2
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.103
Quantitative Estimate Of Drug Likeness（Qed）
0.716