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
- 225
- Core Entity Id
- 2240
- Source Entity Count
- 1
- Preferred Name
- 2-(2-hydroxy-1-methyl-2-phenylethyl)-4,5-di-methoxyphenol
- Name En
- Pubchem Id
- 10913202
- Smiles Canonical
- CC(C1=CC(=C(C=C1O)OC)OC)C(C2=CC=CC=C2)O
- Molecular Formula
- C17H20O4
- Molecular Weight
- 288.3430
- Inchikey
- ONLQTGWBJDVDQM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H20O4/c1-11(17(19)12-7-5-4-6-8-12)13-9-15(20-2)16(21-3)10-14(13)18/h4-11,17-19H,1-3H3
- Isomeric Smiles
- CC(C1=CC(=C(C=C1O)OC)OC)C(C2=CC=CC=C2)O
- Cas Id
- Ob Score
- Mol Logp
- 3.2465
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-(2-Hydroxy-1-methyl-2-phenylethyl)-4,5-dimethoxyphenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(2-hydroxy-1-methyl-2-phenylethyl)-4,5-di-methoxyphenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-(2-hydroxy-1-methyl-2-phenylethyl)-4,5-di-methoxyphenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
交趾黄檀
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIAO ZHI HUANG TAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Siam Rosewood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
guan-fu base f
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(2-Hydroxy-1-methyl-2-phenylethyl)-4,5-dimethoxyphenol交趾黄檀JIAO ZHI HUANG TANSiam Rosewoodguan-fu base f
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003732HBIN028482
Tcmid
105139045
Pub Chem
10913202
Tcmbank
TCMBANKIN030065TCMBANKIN059285
Itcmdb Generated
ITX-INGREDIENT-9805E9D2B5B6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H20O4/c1-11(17(19)12-7-5-4-6-8-12)13-9-15(20-2)16(21-3)10-14(13)18/h4-11,17-19H,1-3H3
Mol Wt
288.343
Smiles
CC(C1=CC(=C(C=C1O)OC)OC)C(C2=CC=CC=C2)O
Mol Log P
3.246500000000001
In Ch Ikey
ONLQTGWBJDVDQM-UHFFFAOYSA-N
Tcm Name
交趾黄檀
Tcm Name2
JIAO ZHI HUANG TAN
Mol2 Path
/TCM_database/2007_3d_all/10514.mol2
Reference
4716
Num Hdonors
2
Tcm Name En
Siam Rosewood
Drug Likeness
0.886
Num Hacceptors
4
Isomeric Smiles
CC(C1=CC(=C(C=C1O)OC)OC)C(C2=CC=CC=C2)O
Canonical Smiles
CC(C1=CC(=C(C=C1O)OC)OC)C(C2=CC=CC=C2)O
Molecular Weight
288.34 g/mol
Molecular Formula
C17H20O4
Molecular Formula
C17H20O4
Num Rotatable Bonds
5