Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29163
- Core Entity Id
- 35602
- Source Entity Count
- 1
- Preferred Name
- Pashanone
- Name En
- Pubchem Id
- 6254251
- Smiles Canonical
- COC1=C(C(=C(C(=C1)O)C(=O)C=CC2=CC=CC=C2)O)OC
- Molecular Formula
- C17H16O5
- Molecular Weight
- 300.3100
- Inchikey
- KVDNSLPRNTZIKF-CMDGGOBGSA-N
- Inchi
- InChI=1S/C17H16O5/c1-21-14-10-13(19)15(16(20)17(14)22-2)12(18)9-8-11-6-4-3-5-7-11/h3-10,19-20H,1-2H3/b9-8+
- Isomeric Smiles
- COC1=C(C(=C(C(=C1)O)C(=O)/C=C/C2=CC=CC=C2)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.0111
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pashanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pashanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pashanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
pashanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Didymocarpus pedicellata
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
(2E)-1-(2,6-Dihydroxy-3,4-dimethoxyphenyl)-3-phenyl-2-propen-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E)-1-(2,6-Dihydroxy-3,4-dimethoxyphenyl)-3-phenyl-2-propen-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-1-(2,6-dihydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-1-(2,6-dihydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2',6'-Dihydroxy-3',4'-dimethoxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
2',6'-Dihydroxy-3',4'-dimethoxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Propen-1-one, 1-(2,6-dihydroxy-3,4-dimethoxyphenyl)-3-phenyl-, (E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propen-1-one, 1-(2,6-dihydroxy-3,4-dimethoxyphenyl)-3-phenyl-, (E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
42438-78-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
42438-78-8
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N3106
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3106
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120336
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12120336
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 255995
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 255995
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Didymocarpus pedicellata(2E)-1-(2,6-Dihydroxy-3,4-dimethoxyphenyl)-3-phenyl-2-propen-1-one(E)-1-(2,6-dihydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one2',6'-Dihydroxy-3',4'-dimethoxychalcone2-Propen-1-one, 1-(2,6-dihydroxy-3,4-dimethoxyphenyl)-3-phenyl-, (E)-42438-78-8HY-N3106LMPK12120336NSC 255995
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038906
Tcmid
16685
Pub Chem
6254251
Tcmbank
TCMBANKIN038802
Etcm Ingredient
pashanone
Itcmdb Generated
ITX-INGREDIENT-26D9AE88BAE4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O5/c1-21-14-10-13(19)15(16(20)17(14)22-2)12(18)9-8-11-6-4-3-5-7-11/h3-10,19-20H,1-2H3/b9-8+
Mol Wt
300.3100000000001
Mol Log P
3.011100000000002
In Ch Ikey
KVDNSLPRNTZIKF-CMDGGOBGSA-N
Tcm Name2
Didymocarpus pedicellata
Mol2 Path
/TCM_database/2007_3d_all/16697.mol2
Reference
3145, 3146, 3147
Num Hdonors
2
Drug Likeness
0.655
Num Hacceptors
5
Isomeric Smiles
COC1=C(C(=C(C(=C1)O)C(=O)/C=C/C2=CC=CC=C2)O)OC
Canonical Smiles
COC1=C(C(=C(C(=C1)O)C(=O)C=CC2=CC=CC=C2)O)OC
Herb Alias Names
42438-78-82',6'-Dihydroxy-3',4'-dimethoxychalcone(E)-1-(2,6-dihydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-oneNSC 2559952-Propen-1-one, 1-(2,6-dihydroxy-3,4-dimethoxyphenyl)-3-phenyl-, (E)-2-Propen-1-one, 1-(2,6-dihydroxy-3,4-dimethoxyphenyl)-3-phenyl-, (E)-(2E)-1-(2,6-Dihydroxy-3,4-dimethoxyphenyl)-3-phenyl-2-propen-1-oneHY-N3106LMPK12120336NSC255995
Molecular Weight
300.100
Molecular Weight
300.3 g/mol
Molecular Formula
C17H16O5
Molecular Formula
C17H16O5
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.147
Quantitative Estimate Of Drug Likeness（Qed）
0.655