Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35901
- Core Entity Id
- 43094
- Source Entity Count
- 1
- Preferred Name
- Tritriacontanol
- Name En
- Pubchem Id
- 156150
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
- Molecular Formula
- C33H68O
- Molecular Weight
- 480.9060
- Inchikey
- ZERSFCCIRKUIFX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C33H68O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h34H,2-33H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
- Cas Id
- Ob Score
- Mol Logp
- 12.0917
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 31
- Drug Likeness
- 0.0980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tritriacontanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Tritriacontanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tritriacontanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Tritriacontanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tritriacontanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
tritriacontanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Tritriacontanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Tritriacontanol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Tritriacontanol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Tritriacontanol
Role
alias
Source
SymMap_v2
Preferred
No
Name
107602-36-8
Role
alias
Source
SymMap_v2
Preferred
No
Name
107602-36-8
Role
alias
Source
TCMBank
Preferred
No
Name
71353-61-2
Role
alias
Source
TCMBank
Preferred
No
Name
71353-61-2
Role
alias
Source
SymMap_v2
Preferred
No
Name
71353-61-2
Role
alias
Source
HERB_v2
Preferred
No
Name
71353-61-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L4FN0
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L4FN0
Role
alias
Source
TCMBank
Preferred
No
Name
ACMC-1BFS4
Role
alias
Source
SymMap_v2
Preferred
No
Name
ACMC-1BFS4
Role
alias
Source
TCMBank
Preferred
No
Name
CTK0G2974
Role
alias
Source
TCMBank
Preferred
No
Name
CTK0G2974
Role
alias
Source
SymMap_v2
Preferred
No
Name
DTXCID30144047
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID30144047
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00221556
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID00221556
Role
alias
Source
SymMap_v2
Preferred
No
Name
DTXSID00221556
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00221556
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA05000604
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA05000604
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA05000604
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA05000604
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL810872
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL810872
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL810872
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL810872
Role
alias
Source
HERB_v2
Preferred
No
Name
Tritriacontane-1-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tritriacontane-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
ZERSFCCIRKUIFX-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZERSFCCIRKUIFX-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
n-tritriacontanol
Role
alias
Source
SymMap_v2
Preferred
No
Name
n-tritriacontanol
Role
alias
Source
TCMBank
Preferred
No
Name
n-tritriacontanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-tritriacontanol
Role
alias
Source
HERB_v2
Preferred
No
Name
tritriacontan-1-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
tritriacontan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
tritriacontan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
tritriacontan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
tritriacontanol
Role
alias
Source
SymMap_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Tritriacontanol107602-36-871353-61-2AC1L4FN0ACMC-1BFS4CTK0G2974DTXCID30144047DTXSID00221556LMFA05000604SCHEMBL810872Tritriacontane-1-olZERSFCCIRKUIFX-UHFFFAOYSA-Nn-tritriacontanoltritriacontan-1-ol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047240
Npass
NPC203411
Tcmid
22028
Sym Map
SMIT18091
Pub Chem
156150
Tcmbank
TCMBANKIN045994
Etcm Ingredient
Tritriacontanol
Itcmdb Generated
ITX-INGREDIENT-067AA770E685
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C33H68O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h34H,2-33H2,1H3
Mol Wt
480.9060000000005
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Mol Log P
12.09169999999998
Version
v1,v2
In Ch Ikey
ZERSFCCIRKUIFX-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/22044.mol2
Reference
660, 1521
Num Hdonors
1
Drug Likeness
0.098
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Herb Alias Names
1-Tritriacontanoltritriacontan-1-oln-tritriacontanol71353-61-2DTXSID00221556SCHEMBL810872DTXCID30144047ZERSFCCIRKUIFX-UHFFFAOYSA-NLMFA05000604
Molecular Weight
480.530
Molecular Weight
480.9 g/mol
Molecular Formula
C33H68O
Molecular Formula
C33H68O
Molecular Formula
C33H68O
Num Rotatable Bonds
31
Fda Maximum Daily Dose (Fdamdd)
0.022
Quantitative Estimate Of Drug Likeness（Qed）
0.098