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
Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5668
- Core Entity Id
- 9490
- Source Entity Count
- 1
- Preferred Name
- 4,6,3',4'-tetrahydroxy-2-methoxybenzophenone
- Name En
- Pubchem Id
- 10423558
- Smiles Canonical
- COC1=CC(=CC(=C1C(=O)C2=CC(=C(C=C2)O)O)O)O
- Molecular Formula
- C14H12O6
- Molecular Weight
- 276.2440
- Inchikey
- MLVVZWQVFLLMQZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H12O6/c1-20-12-6-8(15)5-11(18)13(12)14(19)7-2-3-9(16)10(17)4-7/h2-6,15-18H,1H3
- Isomeric Smiles
- COC1=CC(=CC(=C1C(=O)C2=CC(=C(C=C2)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7486
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4,6,3',4'-Tetrahydroxy-2-methoxybenzophenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4,6,3',4'-Tetrahydroxy-2-methoxybenzophenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4,6,3',4'-tetrahydroxy-2-methoxybenzophenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4,6,3',4'-tetrahydroxy-2-methoxybenzophenone
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
Name
(2,4-dihydroxy-6-methoxyphenyl)-(3,4-dihydroxyphenyl)methanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(2,4-dihydroxy-6-methoxyphenyl)-(3,4-dihydroxyphenyl)methanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3',4,4'-Tetrahydroxy-6-methoxybenzophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3',4,4'-Tetrahydroxy-6-methoxybenzophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL452764
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL452764
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15773425
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15773425
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
山竹子SHAN ZHU ZIManyflower Garcinia(2,4-dihydroxy-6-methoxyphenyl)-(3,4-dihydroxyphenyl)methanone2,3',4,4'-Tetrahydroxy-6-methoxybenzophenoneCHEMBL452764SCHEMBL15773425
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010051
Npass
NPC287722
Tcmid
21109
Pub Chem
10423558
Tcmbank
TCMBANKIN045282
Etcm Ingredient
4,6,3',4'-Tetrahydroxy-2-methoxybenzophenone
Itcmdb Generated
ITX-INGREDIENT-1826DDB3D279
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H12O6/c1-20-12-6-8(15)5-11(18)13(12)14(19)7-2-3-9(16)10(17)4-7/h2-6,15-18H,1H3
Mol Wt
276.244
Mol Log P
1.748600000000001
In Ch Ikey
MLVVZWQVFLLMQZ-UHFFFAOYSA-N
Tcm Name
山竹子
Tcm Name2
SHAN ZHU ZI
Mol2 Path
/TCM_database/2007_3d_all/21125.mol2
Reference
4708
Num Hdonors
4
Tcm Name En
Manyflower Garcinia
Drug Likeness
0.502
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=CC(=C1C(=O)C2=CC(=C(C=C2)O)O)O)O
Canonical Smiles
COC1=CC(=CC(=C1C(=O)C2=CC(=C(C=C2)O)O)O)O
Herb Alias Names
(2,4-dihydroxy-6-methoxyphenyl)-(3,4-dihydroxyphenyl)methanone2,3',4,4'-Tetrahydroxy-6-methoxybenzophenoneCHEMBL452764SCHEMBL15773425(2,4-dihydroxy-6-methoxy-phenyl)-(3,4-dihydroxyphenyl)methanone
Molecular Weight
276.060
Molecular Weight
276.24 g/mol
Molecular Formula
C14H12O6
Molecular Formula
C14H12O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.228
Quantitative Estimate Of Drug Likeness（Qed）
0.502