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: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29769
- Core Entity Id
- 36271
- Source Entity Count
- 1
- Preferred Name
- P-hydroxybenzalacetone
- Name En
- Pubchem Id
- 796857
- Smiles Canonical
- CC(=O)C=CC1=CC=C(C=C1)O
- Molecular Formula
- C10H10O2
- Molecular Weight
- 162.1880
- Inchikey
- OCNIKEFATSKIBE-NSCUHMNNSA-N
- Inchi
- InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+
- Isomeric Smiles
- CC(=O)/C=C/C1=CC=C(C=C1)O
- Cas Id
- 22214-30-8
- Ob Score
- 25.7750
- Mol Logp
- 1.9944
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
P-Hydroxybenzalacetone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
P-hydroxybenzalacetone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
P-hydroxybenzalacetone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
p-Hydroxybenzalacetone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
p-Hydroxybenzalacetone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-4-(4-hydroxyphenyl)but-3-en-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-4-(4-hydroxyphenyl)but-3-en-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-4-(4-hydroxyphenyl)but-3-en-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(4-Hydroxybenzylidene)acetone
Role
alias
Source
TCMBank
Preferred
No
Name
22214-30-8
Role
alias
Source
HERB_v2
Preferred
No
Name
22214-30-8
Role
alias
Source
TCMBank
Preferred
No
Name
22214-30-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Buten-2-one, 4-(4-hydroxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
3-Buten-2-one, 4-(4-hydroxyphenyl)-, (E)-
Role
alias
Source
TCMBank
Preferred
No
Name
3-Buten-2-one, 4-(p-hydroxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
3160-35-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
3160-35-8
Role
alias
Source
HERB_v2
Preferred
No
Name
3160-35-8
Role
alias
Source
TCMBank
Preferred
No
Name
4-(4-Hydroxyphenyl)but-3-en-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
4-(4-Hydroxyphenyl)but-3-en-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(4-Hydroxyphenyl)but-3-en-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(p-Hydroxyphenyl)-3-buten-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxybenzal acetone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxybenzal acetone
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxybenzalacetone
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxycinnamoylmethane
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxycinnamoylmethane
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxycinnamoylmethane
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-hydroxybenzylideneacetone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-hydroxybenzylideneacetone
Role
alias
Source
HERB_v2
Preferred
No
Name
AI3-30539
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-35956
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS017763
Role
alias
Source
TCMBank
Preferred
No
Name
C12088
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 221-607-9
Role
alias
Source
TCMBank
Preferred
No
Name
NSC26516
Role
alias
Source
TCMBank
Preferred
No
Name
ST5409297
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00301268
Role
alias
Source
TCMBank
Preferred
No
Name
p-Hydroxybenzylidene acetone
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Hydroxybenzylidene acetone
Role
alias
Source
TCMBank
Preferred
No
Name
p-Hydroxybenzylidene acetone
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl p-hydroxycinnamoyl ketone
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-4-(4-hydroxyphenyl)but-3-en-2-one1-(4-Hydroxybenzylidene)acetone22214-30-83-Buten-2-one, 4-(4-hydroxyphenyl)-3-Buten-2-one, 4-(4-hydroxyphenyl)-, (E)-3-Buten-2-one, 4-(p-hydroxyphenyl)-3160-35-84-(4-Hydroxyphenyl)but-3-en-2-one4-(p-Hydroxyphenyl)-3-buten-2-one4-Hydroxybenzal acetone4-Hydroxybenzalacetone4-Hydroxycinnamoylmethane4-hydroxybenzylideneacetoneAI3-30539AI3-35956AIDS017763C12088EINECS 221-607-9NSC26516ST5409297ZINC00301268p-Hydroxybenzylidene acetonemethyl p-hydroxycinnamoyl ketone
Cross References
Trusted external identifiers retained for this final record.
Cas
22214-30-8
Herb
HBIN039670HBIN035385
Npass
NPC181709
Tcmid
14492
Tcmsp
MOL012258
Sym Map
SMIT13036
Pub Chem
796857
Tcmbank
TCMBANKIN010812TCMBANKIN058917
Etcm Ingredient
p-Hydroxybenzalacetone
Itcmdb Generated
ITX-INGREDIENT-3F2ACB86893C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+
Mol Wt
162.188
Cas Id
22214-30-8
Smiles
CC(=O)C=CC1=CC=C(C=C1)O
Mol Log P
1.9944
Version
v1,v2
In Ch Ikey
OCNIKEFATSKIBE-NSCUHMNNSA-N
Ob Score
25.77525.775078725.775079
Suppress
0
Num Hdonors
1
Drug Likeness
0.675
Num Hacceptors
2
Isomeric Smiles
CC(=O)/C=C/C1=CC=C(C=C1)O
Molecule Weight
162.2
Canonical Smiles
CC(=O)C=CC1=CC=C(C=C1)O
Herb Alias Names
3160-35-84-hydroxybenzylideneacetone4-(4-Hydroxyphenyl)but-3-en-2-one4-Hydroxybenzalacetone4-Hydroxybenzal acetone22214-30-84-Hydroxycinnamoylmethane(E)-4-(4-hydroxyphenyl)but-3-en-2-onep-Hydroxybenzylidene acetone
Molecular Weight
162.070
Molecular Weight
162.19
Molecular Formula
C10H10O2
Molecular Formula
C10H10O2
Molecular Formula
C10H10O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.415
Quantitative Estimate Of Drug Likeness（Qed）
0.675