Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38235
- Core Entity Id
- 62987
- Source Entity Count
- 1
- Preferred Name
- 1,3,5-methoxybenzene
- Name En
- Pubchem Id
- 69301
- Smiles Canonical
- COC1=CC(=CC(=C1)OC)OC
- Molecular Formula
- C9H12O3
- Molecular Weight
- 168.1900
- Inchikey
- LKUDPHPHKOZXCD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.0000
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 27.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,3,5-methoxybenzene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,3,5-methoxybenzene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3,5-methoxybenzene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001058
Tcmid
43031
Tcmbank
TCMBANKIN016342