Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38561
- Core Entity Id
- 65869
- Source Entity Count
- 1
- Preferred Name
- 14-heptacosanol
- Name En
- Pubchem Id
- 3084559
- Smiles Canonical
- CCCCCCCCCCCCCC(CCCCCCCCCCCCC)O
- Molecular Formula
- C27H56O
- Molecular Weight
- 396.7440
- Inchikey
- XHGCEYVOGZHRLW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C27H56O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCC(CCCCCCCCCCCCC)O
- Cas Id
- Ob Score
- Mol Logp
- 9.7495
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 24
- Drug Likeness
- 0.1610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
14-Heptacosanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
14-Heptacosanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
14-heptacosanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
14-heptacosanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
14-heptacosanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
14-heptacosanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
32116-10-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
32116-10-2
Role
alias
Source
HERB_v2
Preferred
No
Name
7VMF3VH51O
Role
alias
Source
HERB_v2
Preferred
No
Name
7VMF3VH51O
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID60108394
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID60108394
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60185903
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60185903
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dimyrstylcarbinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dimyrstylcarbinol
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 250-926-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 250-926-6
Role
alias
Source
HERB_v2
Preferred
No
Name
Heptacosan-14-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Heptacosan-14-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL17336094
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL17336094
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-7VMF3VH51O
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-7VMF3VH51O
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
32116-10-27VMF3VH51ODTXCID60108394DTXSID60185903DimyrstylcarbinolEINECS 250-926-6Heptacosan-14-olSCHEMBL17336094UNII-7VMF3VH51O
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001459
Npass
NPC174171
Tcmid
9368
Sym Map
SMIT15717
Pub Chem
3084559
Tcmbank
TCMBANKIN024191
Etcm Ingredient
14-heptacosanol
Itcmdb Generated
ITX-INGREDIENT-5E1A8A8A531E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C27H56O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3
Mol Wt
396.7440000000003
Smiles
CCCCCCCCCCCCCC(CCCCCCCCCCCCC)O
Mol Log P
9.749499999999996
Version
v1,v2
In Ch Ikey
XHGCEYVOGZHRLW-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.161
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCC(CCCCCCCCCCCCC)O
Canonical Smiles
CCCCCCCCCCCCCC(CCCCCCCCCCCCC)O
Herb Alias Names
Heptacosan-14-ol32116-10-27VMF3VH51OEINECS 250-926-6DimyrstylcarbinolUNII-7VMF3VH51ODTXSID60185903SCHEMBL17336094DTXCID60108394
Molecular Weight
396.430
Molecular Weight
396.7 g/mol
Molecule Formula
C27H56O
Molecular Formula
C27H56O
Molecular Formula
C27H56O
Molecular Formula
C27H56O
Num Rotatable Bonds
24
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.161