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
- 9409
- Core Entity Id
- 13624
- Source Entity Count
- 1
- Preferred Name
- Acetate hexacosanol
- Name En
- Pubchem Id
- 3083648
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C
- Molecular Formula
- C28H56O2
- Molecular Weight
- 424.7540
- Inchikey
- TXJQEFZXBSKQGU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-28(2)29/h3-27H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 9.9318
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 25
- Drug Likeness
- 0.1080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Acetate hexacosanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Acetate hexacosanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
acetate hexacosanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Hexacosanol, acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Hexacosanol, acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hexacosyl acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Hexacosyl acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
822-32-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
822-32-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetic acid hexacosyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetic acid hexacosyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cetyl alcohol acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
Cetyl alcohol acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00057783
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00057783
Role
alias
Source
HERB_v2
Preferred
No
Name
hexacosanol acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
hexacosanol acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
hexacosyl acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
hexacosylacetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Hexacosyl acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Hexacosyl acetate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Hexacosanol, acetate1-Hexacosyl acetate822-32-2Acetic acid hexacosyl esterCetyl alcohol acetateMFCD00057783hexacosanol acetatehexacosyl acetatehexacosylacetaten-Hexacosyl acetate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014396
Npass
NPC238802
Tcmid
34890
Pub Chem
3083648
Tcmbank
TCMBANKIN032562
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-28(2)29/h3-27H2,1-2H3
Mol Wt
424.7540000000003
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C
Mol Log P
9.931799999999996
In Ch Ikey
TXJQEFZXBSKQGU-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.108
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C
Herb Alias Names
hexacosyl acetate822-32-21-Hexacosyl acetateCetyl alcohol acetateAcetic acid hexacosyl ester1-Hexacosanol, acetatehexacosylacetatehexacosanol acetaten-Hexacosyl acetateMFCD00057783
Molecular Formula
C28H56O2
Molecular Formula
C28H56O2
Num Rotatable Bonds
25