IngredientID 21387

Hexacosan-4-olide

C26H50O2

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Relationship Network

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Herb: 2Ingredient: 1Links: 2
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
21387
Core Entity Id
26959
Source Entity Count
1
Preferred Name
Hexacosan-4-olide
Name En
Pubchem Id
10992904
Smiles Canonical
CCCCCCCCCCCCCCCCCCCCCCC1CCC(=O)O1
Molecular Formula
C26H50O2
Molecular Weight
394.6840
Inchikey
KWOWNYUWWHKUCK-VWLOTQADSA-N
Inchi
InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24-26(27)28-25/h25H,2-24H2,1H3/t25-/m0/s1
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
Cas Id
Ob Score
Mol Logp
8.9040
Num H Donors
0
Num H Acceptors
2
Num Rotatable Bonds
21
Drug Likeness
0.1430
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Hexacosan-4-olide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hexacosan-4-olide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hexacosan-4-olide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
俯垂弗劳菊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FU CHUI FE LAO JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tarbush
Role
TCM_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

俯垂弗劳菊FU CHUI FE LAO JUTarbush

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN029241
Npass
NPC250553
Tcmid
9479
Pub Chem
10992904
Tcmbank
TCMBANKIN049816

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24-26(27)28-25/h25H,2-24H2,1H3/t25-/m0/s1
Mol Wt
394.6840000000002
Mol Log P
8.904000000000003
In Ch Ikey
KWOWNYUWWHKUCK-VWLOTQADSA-N
Tcm Name
俯垂弗劳菊
Tcm Name2
FU CHUI FE LAO JU
Mol2 Path
/TCM_database/2007_3d_all/09480.mol2
Reference
3433
Num Hdonors
0
Tcm Name En
Tarbush
Drug Likeness
0.143
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCC1CCC(=O)O1
Molecular Weight
394.7 g/mol
Molecular Formula
C26H50O2
Num Rotatable Bonds
21