Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 44526
- Core Entity Id
- 87537
- Source Entity Count
- 1
- Preferred Name
- Desaspidinol-A
- Name En
- Pubchem Id
- 24135
- Smiles Canonical
- CC(=O)C1=C(C=C(C=C1O)OC)O
- Molecular Formula
- C9H10O4
- Molecular Weight
- 182.1700
- Inchikey
- GKSGTWUNURZTKD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O4/c1-5(10)9-7(11)3-6(13-2)4-8(9)12/h3-4,11-12H,1-2H3
- Isomeric Smiles
- Cas Id
- 7507-89-3
- Ob Score
- 30.5141
- Mol Logp
- 1.4000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 66.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Desaspidinol-A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Desaspidinol-A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Desaspidinol-A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-(2,6-DIHYDROXY-4-METHOXYPHENYL)ETHANONE
Role
alias
Source
TCMBank
Preferred
No
Name
2,6-Dihydroxy-4-methoxyacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
4-O-Methylphloracetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
7507-89-3
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS048775
Role
alias
Source
TCMBank
Preferred
No
Name
AQ-358/42531488
Role
alias
Source
TCMBank
Preferred
No
Name
Acetophenone, 2',6'-dihydroxy-4'-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Acetophenone, 2',6'-dihydroxy-4'-methoxy- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
C10680
Role
alias
Source
TCMBank
Preferred
No
Name
Ethanone, 1-(2,6-dihydroxy-4-methoxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
Ethanone, 1-(2,6-dihydroxy-4-methoxyphenyl)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
MO 07663
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_003771
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 401443
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00900185
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-(2,6-DIHYDROXY-4-METHOXYPHENYL)ETHANONE2,6-Dihydroxy-4-methoxyacetophenone4-O-Methylphloracetophenone7507-89-3AIDS048775AQ-358/42531488Acetophenone, 2',6'-dihydroxy-4'-methoxy-Acetophenone, 2',6'-dihydroxy-4'-methoxy- (8CI)C10680Ethanone, 1-(2,6-dihydroxy-4-methoxyphenyl)-Ethanone, 1-(2,6-dihydroxy-4-methoxyphenyl)- (9CI)MO 07663NCI60_003771NSC 401443ZINC00900185
Cross References
Trusted external identifiers retained for this final record.
Pub Chem
24135
Tcmbank
TCMBANKIN015344
Etcm Ingredient
Desaspidinol-A
Itcmdb Generated
ITX-INGREDIENT-23B7D250642B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC(=O)C1=C(C=C(C=C1O)OC)O
Version
v1,v2
Ob Score
30.5140630.51406029
Suppress
0
Molecule Weight
182.19
Molecular Weight
182.060
Molecular Weight
182.17
Molecular Formula
C9H10O4
Molecular Formula
C9H10O4
Fda Maximum Daily Dose (Fdamdd)
0.314
Quantitative Estimate Of Drug Likeness（Qed）
0.676