IngredientID 2266

2-n-heptadecy-5,7-dihydroxy-6,8-dimethylchromone

C28H44O4

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Relationship Network

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Herb: 2Ingredient: 1Target: 3Links: 8
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
2266
Core Entity Id
5707
Source Entity Count
1
Preferred Name
2-n-heptadecy-5,7-dihydroxy-6,8-dimethylchromone
Name En
Pubchem Id
Smiles Canonical
Molecular Formula
C28H44O4
Molecular Weight
446.3400
Inchikey
Inchi
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
Num H Donors
Num H Acceptors
Num Rotatable Bonds
Drug Likeness
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
2-N-Heptadecy-5,7-Dihydroxy-6,8-Dimethylchromone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-n-Heptadecy-5,7-dihydroxy-6,8-dimethyl chromone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-n-Heptadecy-5,7-dihydroxy-6,8-dimethyl chromone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-n-heptadecy-5,7-dihydroxy-6,8-dimethylchromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-n-heptadecy-5,7-dihydroxy-6,8-dimethylchromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
苦参
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KU SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lightyellow Sophora
Role
TCM_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

2-n-Heptadecy-5,7-dihydroxy-6,8-dimethyl chromone苦参KU SHENLightyellow Sophora

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN006117
Tcmid
9390
Sym Map
SMIT20691
Tcmbank
TCMBANKIN028570
Etcm Ingredient
2-n-Heptadecy-5,7-dihydroxy-6,8-dimethyl chromone
Itcmdb Generated
ITX-INGREDIENT-A0EFD87F295FITX-INGREDIENT-C6BE482B2E2AITX-INGREDIENT-E9B2231F8FBC

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Version
v2
Suppress
0
Tcm Name
苦参
Tcm Name2
KU SHEN
Mol2 Path
/TCM_database/2007_3d_all/09391.mol2
Reference
660
Tcm Name En
Lightyellow Sophora
Molecular Weight
446.340
Molecular Formula
C28H46O4
Molecular Formula
C28H44O4
Fda Maximum Daily Dose (Fdamdd)
0.649
Quantitative Estimate Of Drug Likeness(Qed)
0.251