IngredientID 49933
1-[(1R,2R,3R,4R)-2,3-Dimethyl-4-(2,4,5-Trimethoxyphenyl)Cyclobutyl]-2,4,5-Trimethoxybenzene
C24H32O6
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Ingredient: 1Target: 12Links: 12
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 49933
- Core Entity Id
- 92944
- Source Entity Count
- 1
- Preferred Name
- 1-[(1R,2R,3R,4R)-2,3-Dimethyl-4-(2,4,5-Trimethoxyphenyl)Cyclobutyl]-2,4,5-Trimethoxybenzene
- Name En
- Pubchem Id
- 10454589
- Smiles Canonical
- CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C
- Molecular Formula
- C24H32O6
- Molecular Weight
- 416.5600
- Inchikey
- WCERJEZPIONOJU-LHEXPUQLSA-N
- Inchi
- InChI=1S/C24H32O6/c1-13-14(2)24(16-10-20(28-6)22(30-8)12-18(16)26-4)23(13)15-9-19(27-5)21(29-7)11-17(15)25-3/h9-14,23-24H,1-8H3/t13-,14-,23+,24+/m1/s1
- Isomeric Smiles
- Cas Id
- 81861-74-7
- Ob Score
- 16.1250
- Mol Logp
- 4.9000
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 55.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-[(1R,2R,3R,4R)-2,3-Dimethyl-4-(2,4,5-Trimethoxyphenyl)Cyclobutyl]-2,4,5-Trimethoxybenzene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-[(1R,2R,3R,4R)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-[(1R,2R,3R,4R)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxy-benzene
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-[(1R,2R,3R,4R)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxy-benzene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000521
Tcmbank
TCMBANKIN033161
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
16.1250116.12501027
Suppress
0
Molecule Weight
416.56
Molecular Weight
416.56