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
- 38179
- Core Entity Id
- 62466
- Source Entity Count
- 1
- Preferred Name
- 12-tricosanol
- Name En
- Pubchem Id
- 3084429
- Smiles Canonical
- CCCCCCCCCCCC(CCCCCCCCCCC)O
- Molecular Formula
- C23H48O
- Molecular Weight
- 340.6360
- Inchikey
- PFMNFSXMCRSYMU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H48O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCC(CCCCCCCCCCC)O
- Cas Id
- 24897-74-3
- Ob Score
- 12.4230
- Mol Logp
- 8.1891
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 20
- Drug Likeness
- 0.2210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
12-Tricosanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
12-Tricosanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
12-Tricosanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
12-Tricosanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
12-tricosanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
12-tricosanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
北艾
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BEI AI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Mugwort
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
12-hydroxytricosane
Role
alias
Source
HERB_v2
Preferred
No
Name
12-hydroxytricosane
Role
alias
Source
itcmdb_public
Preferred
No
Name
12-tricosanol
Role
alias
Source
TCMBank
Preferred
No
Name
24897-74-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
24897-74-3
Role
alias
Source
TCMBank
Preferred
No
Name
24897-74-3
Role
alias
Source
HERB_v2
Preferred
No
Name
44G6UH5MNJ
Role
alias
Source
itcmdb_public
Preferred
No
Name
44G6UH5MNJ
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20179606
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20179606
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1812051
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1812051
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tricosanol, 12-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tricosanol-(12)
Role
alias
Source
HERB_v2
Preferred
No
Name
tricosan-12-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
tricosan-12-ol
Role
alias
Source
TCMBank
Preferred
No
Name
tricosan-12-ol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
北艾BEI AIMugwort12-hydroxytricosane24897-74-344G6UH5MNJDTXSID20179606SCHEMBL1812051Tricosanol, 12-Tricosanol-(12)tricosan-12-ol
Cross References
Trusted external identifiers retained for this final record.
Cas
24897-74-3
Herb
HBIN000983
Npass
NPC70312
Tcmid
21580
Tcmsp
MOL005719
Sym Map
SMIT07440
Pub Chem
3084429
Tcmbank
TCMBANKIN037285
Etcm Ingredient
12-Tricosanol
Itcmdb Generated
ITX-INGREDIENT-0B5A41C3DB45
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C23H48O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3
Mol Wt
340.6360000000001
Cas Id
24897-74-3
Mol Log P
8.189100000000007
Version
v1,v2
In Ch Ikey
PFMNFSXMCRSYMU-UHFFFAOYSA-N
Ob Score
12.42312.4231005412.423101
Suppress
0
Tcm Name
北艾
Tcm Name2
BEI AI
Mol2 Path
/TCM_database/2007_3d_all/21596.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Mugwort
Drug Likeness
0.221
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCC(CCCCCCCCCCC)O
Molecule Weight
340.71
Canonical Smiles
CCCCCCCCCCCC(CCCCCCCCCCC)O
Herb Alias Names
tricosan-12-ol24897-74-3DTXSID20179606Tricosanol-(12)tricosanol-1212-hydroxytricosaneTricosanol, 12-44G6UH5MNJSCHEMBL1812051
Molecular Weight
340.370
Molecular Weight
340.63
Molecular Formula
C23H48O
Molecular Formula
C23H48O
Num Rotatable Bonds
20
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.221