Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Reference: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36233
- Core Entity Id
- 43466
- Source Entity Count
- 1
- Preferred Name
- Uvangoletin
- Name En
- Pubchem Id
- 6483649
- Smiles Canonical
- COC1=CC(=CC(=C1C(=O)CCC2=CC=CC=C2)O)O
- Molecular Formula
- C16H16O4
- Molecular Weight
- 272.3000
- Inchikey
- FYPYWIYWMVCNCS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H16O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-6,9-10,17,19H,7-8H2,1H3
- Isomeric Smiles
- COC1=CC(=CC(=C1C(=O)CCC2=CC=CC=C2)O)O
- Cas Id
- Ob Score
- 4.7460
- Mol Logp
- 2.9219
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Uvangoletin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Uvangoletin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Uvangoletin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Uvangoletin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Uvangoletin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Uvangoletin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-1-propanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-1-propanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-propan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylpropan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Propanone, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Propanone, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Propanone, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-
Role
alias
Source
TCMBank
Preferred
No
Name
76444-56-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
76444-56-9
Role
alias
Source
HERB_v2
Preferred
No
Name
AIDS345121
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:180160
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:180160
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4641401
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4641401
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12120512
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120512
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1938569
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1938569
Role
alias
Source
itcmdb_public
Preferred
No
Name
uvangoletin
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-1-propanone1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-propan-1-one1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylpropan-1-one1-Propanone, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-76444-56-9AIDS345121CHEBI:180160CHEMBL4641401LMPK12120512SCHEMBL1938569
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047655
Npass
NPC14063
Tcmid
22271
Tcmsp
MOL007748
Sym Map
SMIT09126
Pub Chem
6483649
Tcmbank
TCMBANKIN042202
Etcm Ingredient
Uvangoletin
Itcmdb Generated
ITX-INGREDIENT-1E717B5D1C36
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H16O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-6,9-10,17,19H,7-8H2,1H3
Mol Wt
272.3
Smiles
COC1=CC(=CC(=C1C(=O)CCC2=CC=CC=C2)O)O
Mol Log P
2.921900000000003
Version
v1,v2
In Ch Ikey
FYPYWIYWMVCNCS-UHFFFAOYSA-N
Ob Score
4.7464.7461777614.746178
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/22287.mol2
Reference
1521, 4100, 4261
Num Hdonors
2
Drug Likeness
0.821
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=CC(=C1C(=O)CCC2=CC=CC=C2)O)O
Molecule Weight
272.32
Canonical Smiles
COC1=CC(=CC(=C1C(=O)CCC2=CC=CC=C2)O)O
Herb Alias Names
1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylpropan-1-one76444-56-9SCHEMBL1938569CHEMBL4641401CHEBI:180160LMPK121205121-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-propan-1-one1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-1-propanone1-Propanone, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-
Molecular Weight
272.100
Molecular Weight
272.29 g/mol
Molecular Formula
C16H16O4
Molecular Formula
C16H16O4
Molecular Formula
C16H16O4
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.456
Quantitative Estimate Of Drug Likeness（Qed）
0.821