Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 1Herb: 3Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36079
- Core Entity Id
- 43292
- Source Entity Count
- 1
- Preferred Name
- Ubiquinone-10
- Name En
- Pubchem Id
- 5281915
- 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)CCC=C(C)CCC=C(C)C
- Molecular Formula
- C59H90O4
- Molecular Weight
- 863.3650
- Inchikey
- ACTIUHUUMQJHFO-UPTCCGCDSA-N
- Inchi
- InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
- 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)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
- Cas Id
- Ob Score
- Mol Logp
- 17.8539
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 31
- Drug Likeness
- 0.0510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ubiquinone 10
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ubiquinone 10
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ubiquinone-10
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ubiquinone-10
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Occurs in many plants
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
303-98-0
Role
alias
Source
HERB_v2
Preferred
No
Name
303-98-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
CoQ10
Role
alias
Source
itcmdb_public
Preferred
No
Name
CoQ10
Role
alias
Source
HERB_v2
Preferred
No
Name
Coenzyme Q10
Role
alias
Source
HERB_v2
Preferred
No
Name
Coenzyme Q10
Role
alias
Source
itcmdb_public
Preferred
No
Name
Emitolon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Emitolon
Role
alias
Source
HERB_v2
Preferred
No
Name
Neuquinon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Neuquinon
Role
alias
Source
HERB_v2
Preferred
No
Name
Ubiquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ubiquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
Ubiquinone 10
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ubiquinone 10
Role
alias
Source
HERB_v2
Preferred
No
Name
Ubiquinone 50
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ubiquinone 50
Role
alias
Source
HERB_v2
Preferred
No
Name
ubidecarenone
Role
alias
Source
HERB_v2
Preferred
No
Name
ubidecarenone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Ubiquinone 10Occurs in many plants303-98-0CoQ10Coenzyme Q10EmitolonNeuquinonUbiquinoneUbiquinone 50ubidecarenone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047454
Tcmid
32170
Pub Chem
5281915
Tcmbank
TCMBANKIN008428
Etcm Ingredient
Ubiquinone 10
Itcmdb Generated
ITX-INGREDIENT-09DF3C63E314ITX-INGREDIENT-16FDED679144
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
Mol Wt
863.3649999999994
Mol Log P
17.85389999999997
In Ch Ikey
ACTIUHUUMQJHFO-UPTCCGCDSA-N
Tcm Name2
Occurs in many plants
Mol2 Path
/TCM_database/2007_3d_all/22172.mol2
Reference
658
Num Hdonors
0
Drug Likeness
0.051
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)/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)CCC=C(C)CCC=C(C)C
Herb Alias Names
Coenzyme Q10ubidecarenone303-98-0CoQ10UbiquinoneUbiquinone 50NeuquinonUbiquinone 10Emitolon
Molecular Weight
862.680
Molecular Formula
C59H90O4
Molecular Formula
C59H90O4
Num Rotatable Bonds
31
Fda Maximum Daily Dose (Fdamdd)
0.745
Quantitative Estimate Of Drug Likeness（Qed）
0.046