Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 1Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34474
- Core Entity Id
- 41514
- Source Entity Count
- 1
- Preferred Name
- Tamarixinol
- Name En
- Pubchem Id
- 171649
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)OC)O
- Molecular Formula
- C30H54O2
- Molecular Weight
- 446.7600
- Inchikey
- YUUVODVQILHYOV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-25-29(31)27-30(26-28)32-2/h25-27,31H,3-24H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)OC)O
- Cas Id
- 119708-39-3
- Ob Score
- 12.1770
- Mol Logp
- 10.1553
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 23
- Drug Likeness
- 0.1690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tamarixinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tamarixinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tamarixinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tamarixinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tamarixinol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
柽柳
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHENG LIU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Tamarisk
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
119708-39-3
Role
alias
Source
HERB_v2
Preferred
No
Name
119708-39-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methoxy-5-tricosylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methoxy-5-tricosylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID8075045
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID8075045
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60152554
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60152554
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 3-methoxy-5-tricosyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 3-methoxy-5-tricosyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tamarixinol (I)
Role
preferred
Source
SymMap_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
柽柳CHENG LIUChinese Tamarisk119708-39-33-methoxy-5-tricosylphenolDTXCID8075045DTXSID60152554Phenol, 3-methoxy-5-tricosyl-Tamarixinol (I)
Cross References
Trusted external identifiers retained for this final record.
Cas
119708-39-3
Herb
HBIN045454
Npass
NPC286239
Tcmid
2064525223
Tcmsp
MOL002405
Sym Map
SMIT04654SMIT18807
Tcm Id
23995657
Pub Chem
171649
Tcmbank
TCMBANKIN006209TCMBANKIN033539TCMBANKIN061130
Etcm Ingredient
Tamarixinol
Itcmdb Generated
ITX-INGREDIENT-64AEFDFFA2B9ITX-INGREDIENT-9E94DD421214ITX-INGREDIENT-036A24D76AA3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-25-29(31)27-30(26-28)32-2/h25-27,31H,3-24H2,1-2H3
Mol Wt
446.7600000000002
Cas Id
119708-39-3
Smiles
c1(O[H])c([H])c(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])
([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c1[H]
Mol Log P
10.15529999999999
Version
v1,v2
In Ch Ikey
YUUVODVQILHYOV-UHFFFAOYSA-N
Ob Score
12.17712.17727181
Suppress
0
Tcm Name
柽柳
Tcm Name2
CHENG LIU
Mol2 Path
/TCM_database/2007_3d_all/20661.mol2
Reference
115
Num Hdonors
1
Tcm Name En
Chinese Tamarisk
Drug Likeness
0.169
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)OC)O
Molecule Weight
446.84
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)OC)O
Herb Alias Names
119708-39-3Phenol, 3-methoxy-5-tricosyl-DTXSID601525543-methoxy-5-tricosylphenolDTXCID8075045
Molecular Weight
446.410
Molecular Weight
446.75
Molecular Formula
C30H54O2
Molecular Formula
C30H54O2
Molecular Formula
C30H54O2
Num Rotatable Bonds
23
Fda Maximum Daily Dose (Fdamdd)
0.388
Quantitative Estimate Of Drug Likeness（Qed）
0.169