Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21242
- Core Entity Id
- 26798
- Source Entity Count
- 1
- Preferred Name
- Heptacosanol
- Name En
- Pubchem Id
- 74822
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCCO
- Molecular Formula
- C27H56O
- Molecular Weight
- 396.7440
- Inchikey
- ULCZGKYHRYJXAU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C27H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28/h28H,2-27H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCO
- Cas Id
- 2004-39-9
- Ob Score
- 10.8246
- Mol Logp
- 9.7511
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 25
- Drug Likeness
- 0.1520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Heptacosanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Heptacosanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Heptacosanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Heptacosanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-Heptacosanol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Heptacosanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Heptacosanol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Heptacosanol (8CI)(9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
2004-39-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
2004-39-9
Role
alias
Source
TCMBank
Preferred
No
Name
2004-39-9
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 217-906-9
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 217-906-9
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 217-906-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
H6764_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
Heptacosanol (VAN)
Role
alias
Source
TCMBank
Preferred
No
Name
Heptacosanol (VAN)
Role
alias
Source
HERB_v2
Preferred
No
Name
Heptacosanol (VAN)
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00057822
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00057822
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC53829
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-VO02AJN4KP
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-VO02AJN4KP
Role
alias
Source
itcmdb_public
Preferred
No
Name
VO02AJN4KP
Role
alias
Source
HERB_v2
Preferred
No
Name
VO02AJN4KP
Role
alias
Source
itcmdb_public
Preferred
No
Name
heptacosan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
heptacosan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
heptacosan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
heptacosanol
Role
alias
Source
TCMBank
Preferred
No
Name
n-heptacosanol
Role
alias
Source
HERB_v2
Preferred
No
Name
n-heptacosanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
毛更细线;豨莶草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO GENG XI XIAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hairstalk St. Paulswort
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Heptacosanol1-Heptacosanol (8CI)(9CI)2004-39-9EINECS 217-906-9H6764_SIGMAHeptacosanol (VAN)MFCD00057822NSC53829UNII-VO02AJN4KPVO02AJN4KPheptacosan-1-oln-heptacosanol毛更细线;豨莶草MAO GENG XI XIANHairstalk St. Paulswort
Cross References
Trusted external identifiers retained for this final record.
Cas
2004-39-9
Herb
HBIN029062
Npass
NPC22602
Tcmid
9369
Tcmsp
MOL007530
Sym Map
SMIT08944
Pub Chem
74822
Tcmbank
TCMBANKIN017440TCMBANKIN054451
Itcmdb Generated
ITX-INGREDIENT-97FE848B72C1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C27H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28/h28H,2-27H2,1H3
Mol Wt
396.7440000000003
Cas Id
2004-39-9
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCO
Mol Log P
9.751099999999996
Version
v1,v2
In Ch Ikey
ULCZGKYHRYJXAU-UHFFFAOYSA-N
Ob Score
10.8245537210.82455410.825
Suppress
0
Tcm Name
毛更细线;豨莶草
Tcm Name2
MAO GENG XI XIAN
Mol2 Path
/TCM_database/2003_3d_all/3774.mol2
Reference
476
Num Hdonors
1
Tcm Name En
Hairstalk St. Paulswort
Drug Likeness
0.152
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCO
Molecule Weight
396.83
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCO
Herb Alias Names
1-Heptacosanol2004-39-9heptacosan-1-olHeptacosanol (VAN)n-heptacosanolUNII-VO02AJN4KPVO02AJN4KPEINECS 217-906-9MFCD00057822
Molecular Weight
396.73
Molecular Formula
C27H56O
Molecular Formula
C27H56O
Num Rotatable Bonds
25