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
- 33414
- Core Entity Id
- 40332
- Source Entity Count
- 1
- Preferred Name
- Sinodielide g
- Name En
- Sinodielide G
- Pubchem Id
- 11770726
- Smiles Canonical
- CC1=C2CC3C(C2C4C(=C(C(=O)O4)C)CC1)(O3)C
- Molecular Formula
- C15H18O3
- Molecular Weight
- 246.3060
- Inchikey
- UHDFWCWSGUBZKZ-ABHRYQDASA-N
- Inchi
- InChI=1S/C15H18O3/c1-7-4-5-9-8(2)14(16)17-13(9)12-10(7)6-11-15(12,3)18-11/h11-13H,4-6H2,1-3H3/t11-,12-,13-,15-/m0/s1
- Isomeric Smiles
- CC1=C2C[C@H]3[C@@]([C@@H]2[C@@H]4C(=C(C(=O)O4)C)CC1)(O3)C
- Cas Id
- Ob Score
- Mol Logp
- 2.5160
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sinodielide G
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sinodielide g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sinodielide g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
店芹
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DIAN QIN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Sinodielsia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
店芹DIAN QINCommon Sinodielsia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044106
Npass
NPC129774
Tcmid
19937
Pub Chem
11770726
Tcmbank
TCMBANKIN046806
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H18O3/c1-7-4-5-9-8(2)14(16)17-13(9)12-10(7)6-11-15(12,3)18-11/h11-13H,4-6H2,1-3H3/t11-,12-,13-,15-/m0/s1
Mol Wt
246.3059999999999
Mol Log P
2.516000000000001
In Ch Ikey
UHDFWCWSGUBZKZ-ABHRYQDASA-N
Tcm Name
店芹
Tcm Name2
DIAN QIN
Mol2 Path
/TCM_database/2007_3d_all/19953.mol2
Reference
4336
Num Hdonors
0
Tcm Name En
Common Sinodielsia
Drug Likeness
0.374
Num Hacceptors
3
Isomeric Smiles
CC1=C2C[C@H]3[C@@]([C@@H]2[C@@H]4C(=C(C(=O)O4)C)CC1)(O3)C
Canonical Smiles
CC1=C2CC3C(C2C4C(=C(C(=O)O4)C)CC1)(O3)C
Molecular Weight
246.3 g/mol
Molecular Formula
C15H18O3
Num Rotatable Bonds
0