IngredientID 1709
2-caffeoyloxy-3-hydroxy-3-(3,4-dihydroxy-phenyl)propyl alcohol
C18H18O8
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1709
- Core Entity Id
- 5088
- Source Entity Count
- 1
- Preferred Name
- 2-caffeoyloxy-3-hydroxy-3-(3,4-dihydroxy-phenyl)propyl alcohol
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C18H18O8
- Molecular Weight
- 362.1000
- 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-Caffeoyloxy-3-hydroxy-3-(3,4-dihydroxyphenyl)propyl alcohol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-Caffeoyloxy-3-hydroxy-3-(3,4-dihydroxyphenyl)propyl alcohol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-caffeoyloxy-3-hydroxy-3-(3,4-dihydroxy-phenyl)propyl alcohol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-caffeoyloxy-3-hydroxy-3-(3,4-dihydroxy-phenyl)propyl alcohol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
元宝草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUAN BAO CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sampson St.John’swort
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Caffeoyloxy-3-hydroxy-3-(3,4-dihydroxyphenyl)propyl alcohol元宝草YUAN BAO CAOSampson St.John’swort
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005434
Tcmid
2915
Tcmbank
TCMBANKIN010305
Etcm Ingredient
2-Caffeoyloxy-3-hydroxy-3-(3,4-dihydroxyphenyl)propyl alcohol
Itcmdb Generated
ITX-INGREDIENT-8FF694B5927CITX-INGREDIENT-F785B7E3CA1E
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
元宝草
Tcm Name2
YUAN BAO CAO
Mol2 Path
/TCM_database/2007_3d_all/02915.mol2
Reference
4055
Tcm Name En
Sampson St.John’swort
Molecular Weight
362.100
Molecular Formula
C18H18O8
Molecular Formula
C18H18O8
Fda Maximum Daily Dose (Fdamdd)
0.030
Quantitative Estimate Of Drug Likeness（Qed）
0.255