Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 7Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8382
- Core Entity Id
- 12486
- Source Entity Count
- 1
- Preferred Name
- 7-hydroxy-3-(4'-hydroxybenzylidene)-chroman-4-one
- Name En
- Pubchem Id
- 91980449
- Smiles Canonical
- C1C(=CC2=CC=C(C=C2)O)C(=O)C3=C(O1)C=C(C=C3)O
- Molecular Formula
- C16H12O4
- Molecular Weight
- 268.2680
- Inchikey
- CWFKSHWAQPOKQP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O4/c17-12-3-1-10(2-4-12)7-11-9-20-15-8-13(18)5-6-14(15)16(11)19/h1-8,17-18H,9H2
- Isomeric Smiles
- C1C(=CC2=CC=C(C=C2)O)C(=O)C3=C(O1)C=C(C=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7565
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Hydroxy-3-(4'-Hydroxybenzylidene)-Chroman-4-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
7-Hydroxy-3-(4'-Hydroxybenzylidene)-Chroman-4-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-Hydroxy-3-(4'-hydroxybenzylidene)-chroman-4-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-hydroxy-3-(4'-hydroxybenzylidene)-chroman-4-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-hydroxy-3-(4'-hydroxybenzylidene)-chroman-4-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-hydroxy-3-(4'-hydroxybenzylidene)-chroman-4-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-HYDROXY-3-[(4-HYDROXYPHENYL)METHYLIDENE]-2H-1-BENZOPYRAN-4-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
7-HYDROXY-3-[(4-HYDROXYPHENYL)METHYLIDENE]-2H-1-BENZOPYRAN-4-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-333755
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-333755
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-3-(4-hydroxybenzylidene)-4-chromanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3E)-7-hydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-7-Hydroxy-3-(4-hydroxybenzylidene)chroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
110064-50-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
3'-Deoxy-Sappanone A
Role
alias
Source
itcmdb_public
Preferred
No
Name
3'-Deoxysappanone A
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-3-(4-hydroxybenzylidene)chroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS022184857
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL250414
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-10129
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-44135
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7-HYDROXY-3-[(4-HYDROXYPHENYL)METHYLIDENE]-2H-1-BENZOPYRAN-4-ONEDB-3337557-hydroxy-3-(4-hydroxybenzylidene)-4-chromanone(3E)-7-hydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one(E)-7-Hydroxy-3-(4-hydroxybenzylidene)chroman-4-one110064-50-13'-Deoxy-Sappanone A3'-Deoxysappanone A7-Hydroxy-3-(4-hydroxybenzylidene)chroman-4-oneAKOS022184857CHEMBL250414FS-10129HY-44135
Cross References
Trusted external identifiers retained for this final record.
Cas
110064-50-1
Herb
HBIN013224HBIN013223
Npass
NPC290291
Tcmid
10176
Sym Map
SMIT21967
Tcm Id
7454
Pub Chem
9198044944443280
Tcmbank
TCMBANKIN047354TCMBANKIN031996
Etcm Ingredient
7-Hydroxy-3-(4'-hydroxybenzylidene)-chroman-4-one
Itcmdb Generated
ITX-INGREDIENT-7FC5F6FCD61EITX-INGREDIENT-93888D649A04
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H12O4/c17-12-3-1-10(2-4-12)7-11-9-20-15-8-13(18)5-6-14(15)16(11)19/h1-8,17-18H,9H2
Mol Wt
268.268
Smiles
C1C(=CC2=CC=C(C=C2)O)C(=O)C3=C(O1)C=C(C=C3)O
Mol Log P
2.756500000000001
Version
v2
In Ch Ikey
CWFKSHWAQPOKQP-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/10177.mol2
Reference
660
Num Hdonors
2
Drug Likeness
0.78
Num Hacceptors
4
Isomeric Smiles
C1C(=CC2=CC=C(C=C2)O)C(=O)C3=C(O1)C=C(C=C3)O
Canonical Smiles
C1C(=CC2=CC=C(C=C2)O)C(=O)C3=C(O1)C=C(C=C3)O
Herb Alias Names
DB-3337557-HYDROXY-3-[(4-HYDROXYPHENYL)METHYLIDENE]-2H-1-BENZOPYRAN-4-ONE
Molecular Weight
268.070
Molecular Weight
268.26 g/mol
Molecular Formula
C16H12O4
Molecular Formula
C16H12O4
Molecular Formula
C16H12O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.887
Quantitative Estimate Of Drug Likeness（Qed）
0.780