Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71
- Core Entity Id
- 748
- Source Entity Count
- 1
- Preferred Name
- 2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol
- Name En
- Pubchem Id
- 5317231
- Smiles Canonical
- CCOC(C1=C(C=CC(=C1)OC)O)C(C)O
- Molecular Formula
- C12H18O4
- Molecular Weight
- 226.2720
- Inchikey
- ZKMDFCVTJQLGIW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H18O4/c1-4-16-12(8(2)13)10-7-9(15-3)5-6-11(10)14/h5-8,12-14H,4H2,1-3H3
- Isomeric Smiles
- CCOC(C1=C(C=CC(=C1)OC)O)C(C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.8592
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-(1-Ethoxy-2-hydroxy)propyl-4-methoxyphenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
羊红膻
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YANG HONG SHAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Thellung Pimpinella
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-(1-ethoxy-2-hydroxypropyl)-4-methoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(1-ethoxy-2-hydroxypropyl)-4-methoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:228963
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:228963
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
羊红膻YANG HONG SHANThellung Pimpinella2-(1-ethoxy-2-hydroxypropyl)-4-methoxyphenolCHEBI:228963
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003568HBIN003571
Npass
NPC316686
Tcmid
257537405
Pub Chem
5317231
Tcmbank
TCMBANKIN011211TCMBANKIN061265
Itcmdb Generated
ITX-INGREDIENT-504D9EF230C6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H18O4/c1-4-16-12(8(2)13)10-7-9(15-3)5-6-11(10)14/h5-8,12-14H,4H2,1-3H3
Mol Wt
226.272
Smiles
CCOC(C1=C(C=CC(=C1)OC)O)C(C)O
Mol Log P
1.8592
In Ch Ikey
ZKMDFCVTJQLGIW-UHFFFAOYSA-N
Tcm Name
羊红膻
Tcm Name2
YANG HONG SHAN
Mol2 Path
/TCM_database/2007_3d_all/07406.mol2
Reference
371
Num Hdonors
2
Tcm Name En
Thellung Pimpinella
Drug Likeness
0.804
Num Hacceptors
4
Isomeric Smiles
CCOC(C1=C(C=CC(=C1)OC)O)C(C)O
Canonical Smiles
CCOC(C1=C(C=CC(=C1)OC)O)C(C)O
Herb Alias Names
2-(1-ethoxy-2-hydroxypropyl)-4-methoxyphenolCHEBI:228963
Molecular Formula
C12H18O4
Molecular Formula
C12H18O4
Num Rotatable Bonds
5