Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14148
- Core Entity Id
- 18894
- Source Entity Count
- 1
- Preferred Name
- Chamanetin
- Name En
- Pubchem Id
- 21721821
- Smiles Canonical
- C1C(OC2=C(C(=CC(=C2C1=O)O)O)CC3=CC=CC=C3O)C4=CC=CC=C4
- Molecular Formula
- C22H18O5
- Molecular Weight
- 362.3810
- Inchikey
- SDGMASFMCKFHSI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H18O5/c23-16-9-5-4-8-14(16)10-15-17(24)11-18(25)21-19(26)12-20(27-22(15)21)13-6-2-1-3-7-13/h1-9,11,20,23-25H,10,12H2
- Isomeric Smiles
- C1C(OC2=C(C(=CC(=C2C1=O)O)O)CC3=CC=CC=C3O)C4=CC=CC=C4
- Cas Id
- Ob Score
- Mol Logp
- 4.1007
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chamanetin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chamanetin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Chamanetin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
chamanetin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
58801-43-7
Role
alias
Source
HERB_v2
Preferred
No
Name
58801-43-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:186240
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:186240
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12140147
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12140147
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydrochromen-4-one58801-43-7CHEBI:186240LMPK12140147
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020206
Npass
NPC41499
Tcmid
3463
Tcm Id
219945802
Pub Chem
21721821
Tcmbank
TCMBANKIN019798
Etcm Ingredient
Chamanetin
Itcmdb Generated
ITX-INGREDIENT-1112019B4ECB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H18O5/c23-16-9-5-4-8-14(16)10-15-17(24)11-18(25)21-19(26)12-20(27-22(15)21)13-6-2-1-3-7-13/h1-9,11,20,23-25H,10,12H2
Mol Wt
362.381
Smiles
C1C(OC2=C(C(=CC(=C2C1=O)O)O)CC3=CC=CC=C3O)C4=CC=CC=C4
Mol Log P
4.100700000000003
In Ch Ikey
SDGMASFMCKFHSI-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.653
Num Hacceptors
5
Isomeric Smiles
C1C(OC2=C(C(=CC(=C2C1=O)O)O)CC3=CC=CC=C3O)C4=CC=CC=C4
Canonical Smiles
C1C(OC2=C(C(=CC(=C2C1=O)O)O)CC3=CC=CC=C3O)C4=CC=CC=C4
Herb Alias Names
5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydrochromen-4-one5,7-dihydroxy-8-((2-hydroxyphenyl)methyl)-2-phenyl-2,3-dihydrochromen-4-oneCHEBI:186240LMPK1214014758801-43-7
Molecular Weight
362.120
Molecular Weight
362.4 g/mol
Molecular Formula
C22H18O5
Molecular Formula
C22H18O5
Molecular Formula
C22H18O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.075
Quantitative Estimate Of Drug Likeness（Qed）
0.653