Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5669
- Core Entity Id
- 9491
- Source Entity Count
- 1
- Preferred Name
- 4,6,4'-trihydroxy-2,3'-dimethoxy-3-prenyl-benzophenone
- Name En
- Pubchem Id
- 11783297
- Smiles Canonical
- CC(=CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC(=C(C=C2)O)OC)OC)C
- Molecular Formula
- C20H22O6
- Molecular Weight
- 358.3900
- Inchikey
- BWUVWDLEXDMTNX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H22O6/c1-11(2)5-7-13-15(22)10-16(23)18(20(13)26-4)19(24)12-6-8-14(21)17(9-12)25-3/h5-6,8-10,21-23H,7H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC(=C(C=C2)O)OC)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 3.5603
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.5400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4,6,4'-Trihydroxy-2,3'-dimethoxy-3-prenylbenzophenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4,6,4'-Trihydroxy-2,3'-dimethoxy-3-prenylbenzophenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4,6,4'-trihydroxy-2,3'-dimethoxy-3-prenyl-benzophenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4,6,4'-trihydroxy-2,3'-dimethoxy-3-prenyl-benzophenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
山竹子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHAN ZHU ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Manyflower Garcinia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4,6,4'-Trihydroxy-2,3'-dimethoxy-3-prenylbenzophenone山竹子SHAN ZHU ZIManyflower Garcinia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010052
Tcmid
21699
Pub Chem
11783297
Tcmbank
TCMBANKIN012661TCMBANKIN014858
Etcm Ingredient
4,6,4'-Trihydroxy-2,3'-dimethoxy-3-prenylbenzophenone
Itcmdb Generated
ITX-INGREDIENT-57B69BAF8AD3ITX-INGREDIENT-BBE2F735165C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H22O6/c1-11(2)5-7-13-15(22)10-16(23)18(20(13)26-4)19(24)12-6-8-14(21)17(9-12)25-3/h5-6,8-10,21-23H,7H2,1-4H3
Mol Wt
358.3900000000001
Smiles
CC(=CCC1=C(C=C(C(=C1OC)C(=O)C2=CC(=C(C=C2)O)OC)O)O)C
Mol Log P
3.560300000000003
In Ch Ikey
BWUVWDLEXDMTNX-UHFFFAOYSA-N
Tcm Name
山竹子
Tcm Name2
SHAN ZHU ZI
Mol2 Path
/TCM_database/2007_3d_all/21715.mol2
Reference
4708
Num Hdonors
3
Tcm Name En
Manyflower Garcinia
Drug Likeness
0.54
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC(=C(C=C2)O)OC)OC)C
Canonical Smiles
CC(=CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC(=C(C=C2)O)OC)OC)C
Molecular Weight
358.140
Molecular Formula
C20H22O6
Molecular Formula
C20H22O6
Molecular Formula
C20H22O6
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.189
Quantitative Estimate Of Drug Likeness（Qed）
0.540