IngredientID 2890
2-tert-butyl-5-［hydroxy-(3-methoxyphenyl)-methyl］-6-methyl-［1,3］dioxan-4-one
C17H24O5
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2890
- Core Entity Id
- 6402
- Source Entity Count
- 1
- Preferred Name
- 2-tert-butyl-5-［hydroxy-(3-methoxyphenyl)-methyl］-6-methyl-［1,3］dioxan-4-one
- Name En
- Pubchem Id
- 585801
- Smiles Canonical
- CC1C(C(=O)OC(O1)C(C)(C)C)C(C2=CC(=CC=C2)OC)O
- Molecular Formula
- C17H24O5
- Molecular Weight
- 308.4000
- Inchikey
- FSBMAWFSCOUETC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H24O5/c1-10-13(15(19)22-16(21-10)17(2,3)4)14(18)11-7-6-8-12(9-11)20-5/h6-10,13-14,16,18H,1-5H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.4000
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 65.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-tert-butyl-5-［hydroxy-(3-methoxyphenyl)-methyl］-6-methyl-［1,3］dioxan-4-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-tert-butyl-5-［hydroxy-(3-methoxyphenyl)-methyl］-6-methyl-［1,3］dioxan-4-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-tert-butyl-5-［hydroxy-(3-methoxyphenyl)-methyl］-6-methyl-［1,3］dioxan-4-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006830
Tcmid
41329
Tcmbank
TCMBANKIN006139