Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36080
- Core Entity Id
- 43295
- Source Entity Count
- 1
- Preferred Name
- Ubiquinone 8
- Name En
- Pubchem Id
- 5283546
- Smiles Canonical
- CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
- Molecular Formula
- C49H74O4
- Molecular Weight
- 727.1270
- Inchikey
- ICFIZJQGJAJRSU-SGHXUWJISA-N
- Inchi
- InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+
- Isomeric Smiles
- CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
- Cas Id
- Ob Score
- Mol Logp
- 14.4009
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 25
- Drug Likeness
- 0.0690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ubiquinone 8
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ubiquinone 8
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ubiquinone 8
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ubiquinone 8
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
地梭罗
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DI SUO LUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2394-68-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
2394-68-5
Role
alias
Source
HERB_v2
Preferred
No
Name
COQ8
Role
alias
Source
HERB_v2
Preferred
No
Name
COQ8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Coenzyme Q8
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-CQA993F7P8
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-CQA993F7P8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ubiquinone-40
Role
alias
Source
HERB_v2
Preferred
No
Name
Ubiquinone-40
Role
alias
Source
itcmdb_public
Preferred
No
Name
coenzyme-Q8
Role
alias
Source
itcmdb_public
Preferred
No
Name
ubiquinone-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
ubiquinone-8
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
地梭罗DI SUO LUO2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-dione2394-68-5COQ8Coenzyme Q8UNII-CQA993F7P8Ubiquinone-40coenzyme-Q8ubiquinone-8
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047455
Npass
NPC206089
Tcmid
22155
Pub Chem
5283546
Tcmbank
TCMBANKIN042495
Etcm Ingredient
Ubiquinone 8
Itcmdb Generated
ITX-INGREDIENT-03CBB8025E2A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+
Mol Wt
727.1269999999998
Mol Log P
14.40089999999997
In Ch Ikey
ICFIZJQGJAJRSU-SGHXUWJISA-N
Tcm Name
地梭罗
Tcm Name2
DI SUO LUO
Mol2 Path
/TCM_database/2007_3d_all/22171.mol2
Reference
660
Num Hdonors
0
Drug Likeness
0.069
Num Hacceptors
4
Isomeric Smiles
CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
Canonical Smiles
CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
Herb Alias Names
Coenzyme Q8ubiquinone-82394-68-5COQ8coenzyme-Q8ubiquinone(8)Ubiquinone-40UNII-CQA993F7P82,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-dione
Molecular Weight
726.560
Molecular Weight
727.1 g/mol
Molecular Formula
C49H74O4
Molecular Formula
C49H74O4
Num Rotatable Bonds
25
Fda Maximum Daily Dose (Fdamdd)
0.961
Quantitative Estimate Of Drug Likeness（Qed）
0.063