Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3560
- Core Entity Id
- 7143
- Source Entity Count
- 1
- Preferred Name
- 3,5-dihydroxy-4-methoxylphenylethanol
- Name En
- Pubchem Id
- 129881978
- Smiles Canonical
- CC(C1=CC(=C(C(=C1)O)OC)O)O
- Molecular Formula
- C9H12O4
- Molecular Weight
- 184.1910
- Inchikey
- UZLJJAOJHWVQON-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H12O4/c1-5(10)6-3-7(11)9(13-2)8(12)4-6/h3-5,10-12H,1-2H3
- Isomeric Smiles
- CC(C1=CC(=C(C(=C1)O)OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.1597
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5-dihydroxy-4-methoxylphenylethanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,5-dihydroxy-4-methoxylphenylethanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,5-dihydroxy-4-methoxylphenylethanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007624
Tcmid
42933
Pub Chem
129881978
Tcmbank
TCMBANKIN011662
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H12O4/c1-5(10)6-3-7(11)9(13-2)8(12)4-6/h3-5,10-12H,1-2H3
Mol Wt
184.191
Smiles
CC(C1=CC(=C(C(=C1)O)OC)O)O
Mol Log P
1.1597
In Ch Ikey
UZLJJAOJHWVQON-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.645
Num Hacceptors
4
Isomeric Smiles
CC(C1=CC(=C(C(=C1)O)OC)O)O
Canonical Smiles
CC(C1=CC(=C(C(=C1)O)OC)O)O
Molecular Weight
184.19 g/mol
Molecular Formula
C9H12O4
Molecular Formula
C9H12O4
Num Rotatable Bonds
2