Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1467
- Core Entity Id
- 4820
- Source Entity Count
- 1
- Preferred Name
- 2-acetylresorcinol
- Name En
- Pubchem Id
- 69687
- Smiles Canonical
- CC(=O)C1=C(C=CC=C1O)O
- Molecular Formula
- C8H8O3
- Molecular Weight
- 152.1490
- Inchikey
- YPTJKHVBDCRKNF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
- Isomeric Smiles
- CC(=O)C1=C(C=CC=C1O)O
- Cas Id
- 699-83-2
- Ob Score
- 47.1180
- Mol Logp
- 1.3004
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Acetylresorcinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Acetylresorcinol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-acetylresorcinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-acetylresorcinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
.gamma.-Resacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
1,3-Benzenediol, 2-acetyl-
Role
alias
Source
TCMBank
Preferred
No
Name
1-(2,6-Dihydroxyphenyl)ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2,6-Dihydroxyphenyl)ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2,6-dihydroxyphenyl)ethan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2,6-dihydroxyphenyl)ethan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2,6-dihydroxyphenyl)ethanone
Role
alias
Source
TCMBank
Preferred
No
Name
2',6'-Dihydroxyacetophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2',6'-Dihydroxyacetophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Acetyl-1,3-dihydroxybenzene
Role
alias
Source
TCMBank
Preferred
No
Name
2′,6′-Dihydroxyacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
37468_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
699-83-2
Role
alias
Source
HERB_v2
Preferred
No
Name
699-83-2
Role
alias
Source
TCMBank
Preferred
No
Name
699-83-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
AB-131/40185723
Role
alias
Source
TCMBank
Preferred
No
Name
Acetophenone, 2',6'-dihydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Acetophenone, 2',6'-dihydroxy- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
D107808_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 211-833-6
Role
alias
Source
TCMBank
Preferred
No
Name
Ethanone, 1-(2,6-dihydroxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanone, 1-(2,6-dihydroxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
Ethanone, 1-(2,6-dihydroxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethanone, 1-(2,6-dihydroxyphenyl)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00002270
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00002270
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00166008-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC615
Role
alias
Source
TCMBank
Preferred
No
Name
Resorcinol, 2-acetyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Resorcinol, 2-acetyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Resorcinol, 2-acetyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
ST5331349
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00157768
Role
alias
Source
TCMBank
Preferred
No
Name
gamma-Resacetophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
gamma-Resacetophenone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.gamma.-Resacetophenone1,3-Benzenediol, 2-acetyl-1-(2,6-Dihydroxyphenyl)ethanone1-(2,6-dihydroxyphenyl)ethan-1-one2',6'-Dihydroxyacetophenone2-Acetyl-1,3-dihydroxybenzene2′,6′-Dihydroxyacetophenone37468_FLUKA699-83-2AB-131/40185723Acetophenone, 2',6'-dihydroxy-Acetophenone, 2',6'-dihydroxy- (8CI)D107808_ALDRICHEINECS 211-833-6Ethanone, 1-(2,6-dihydroxyphenyl)-Ethanone, 1-(2,6-dihydroxyphenyl)- (9CI)MFCD00002270NCGC00166008-01NSC615Resorcinol, 2-acetyl-ST5331349ZINC00157768gamma-Resacetophenone
Cross References
Trusted external identifiers retained for this final record.
Cas
699-83-2
Herb
HBIN005139
Npass
NPC118288
Tcmsp
MOL006929
Sym Map
SMIT08468
Pub Chem
69687
Tcmbank
TCMBANKIN011418
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
Mol Wt
152.149
Cas Id
699-83-2
Smiles
CC(=O)C1=C(C=CC=C1O)O
Mol Log P
1.3004
Version
v1,v2
In Ch Ikey
YPTJKHVBDCRKNF-UHFFFAOYSA-N
Ob Score
47.11847.1183419947.118342
Suppress
0
Num Hdonors
2
Drug Likeness
0.596
Num Hacceptors
3
Isomeric Smiles
CC(=O)C1=C(C=CC=C1O)O
Molecule Weight
152.16
Canonical Smiles
CC(=O)C1=C(C=CC=C1O)O
Herb Alias Names
2',6'-Dihydroxyacetophenone699-83-21-(2,6-Dihydroxyphenyl)ethanone2,6-DihydroxyacetophenoneResorcinol, 2-acetyl-1-(2,6-dihydroxyphenyl)ethan-1-oneEthanone, 1-(2,6-dihydroxyphenyl)-MFCD00002270gamma-Resacetophenone
Molecular Weight
152.15
Molecular Formula
C8H8O3
Molecular Formula
C8H8O3
Num Rotatable Bonds
1