Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31914
- Core Entity Id
- 38663
- Source Entity Count
- 1
- Preferred Name
- Rhusone
- Name En
- Pubchem Id
- 5320983
- Smiles Canonical
- CCCCCCCC(=CC1=C(C(=CC=C1)O)O)C(=O)CCCCCC
- Molecular Formula
- C22H34O3
- Molecular Weight
- 346.5110
- Inchikey
- MCDZDCGNQNOKEX-ZCXUNETKSA-N
- Inchi
- InChI=1S/C22H34O3/c1-3-5-7-9-10-13-18(20(23)15-11-8-6-4-2)17-19-14-12-16-21(24)22(19)25/h12,14,16-17,24-25H,3-11,13,15H2,1-2H3/b18-17-
- Isomeric Smiles
- CCCCCCC/C(=C/C1=C(C(=CC=C1)O)O)/C(=O)CCCCCC
- Cas Id
- Ob Score
- Mol Logp
- 6.3812
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.2470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rhusone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Rhusone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Rhusone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rhusone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
泰山盐阜子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI SHAN YAN FU ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Taishan Sumac Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
泰山盐阜子TAI SHAN YAN FU ZITaishan Sumac Fruit
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042294
Npass
NPC277274
Tcmid
18808
Pub Chem
5320983
Tcmbank
TCMBANKIN049679
Etcm Ingredient
Rhusone
Itcmdb Generated
ITX-INGREDIENT-8A783893BE74
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H34O3/c1-3-5-7-9-10-13-18(20(23)15-11-8-6-4-2)17-19-14-12-16-21(24)22(19)25/h12,14,16-17,24-25H,3-11,13,15H2,1-2H3/b18-17-
Mol Wt
346.5110000000003
Mol Log P
6.381200000000007
In Ch Ikey
MCDZDCGNQNOKEX-ZCXUNETKSA-N
Tcm Name
泰山盐阜子
Tcm Name2
TAI SHAN YAN FU ZI
Mol2 Path
/TCM_database/2007_3d_all/18823.mol2
Reference
494
Num Hdonors
2
Tcm Name En
Taishan Sumac Fruit
Drug Likeness
0.247
Num Hacceptors
3
Isomeric Smiles
CCCCCCC/C(=C/C1=C(C(=CC=C1)O)O)/C(=O)CCCCCC
Canonical Smiles
CCCCCCCC(=CC1=C(C(=CC=C1)O)O)C(=O)CCCCCC
Molecular Weight
346.250
Molecular Formula
C22H34O3
Molecular Formula
C22H34O3
Num Rotatable Bonds
13
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.264