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: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11264
- Core Entity Id
- 15686
- Source Entity Count
- 1
- Preferred Name
- Ardisianone
- Name En
- Pubchem Id
- 442721
- Smiles Canonical
- CCCCCCCCCCCCCC(CC1=CC(=O)C=C(C1=O)OC)OC(=O)C
- Molecular Formula
- C24H38O5
- Molecular Weight
- 406.5630
- Inchikey
- CVZNKLNAHBTINT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29-19(2)25)17-20-16-21(26)18-23(28-3)24(20)27/h16,18,22H,4-15,17H2,1-3H3
- Isomeric Smiles
- CCCCCCCCCCCCCC(CC1=CC(=O)C=C(C1=O)OC)OC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.6178
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.1890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ardisianone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ardisianone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ardisianone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ardisianone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-((5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl)tetradecyl acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadecan-2-yl acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadecan-2-yl acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[(5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]tetradecyl acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2-Acetoxypentadecyl)-6-methoxy-1,4-benzoquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2-Acetoxypentadecyl)-6-methoxy-1,4-benzoquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
66398-68-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
66398-68-3
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L9DAK
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L9DAK
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10298
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10298
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4552664
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4552664
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20331924
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20331924
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-((5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl)tetradecyl acetate1-(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadecan-2-yl acetate1-[(5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]tetradecyl acetate2-(2-Acetoxypentadecyl)-6-methoxy-1,4-benzoquinone66398-68-3AC1L9DAKC10298CHEMBL4552664DTXSID20331924
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016643
Npass
NPC175096
Tcmid
1628
Pub Chem
442721
Tcmbank
TCMBANKIN013456
Etcm Ingredient
Ardisianone
Itcmdb Generated
ITX-INGREDIENT-72BF563D3180
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29-19(2)25)17-20-16-21(26)18-23(28-3)24(20)27/h16,18,22H,4-15,17H2,1-3H3
Mol Wt
406.5630000000002
Smiles
CCCCCCCCCCCCCC(CC1=CC(=O)C=C(C1=O)OC)OC(=O)C
Mol Log P
5.617800000000005
In Ch Ikey
CVZNKLNAHBTINT-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.189
Num Hacceptors
5
Isomeric Smiles
CCCCCCCCCCCCCC(CC1=CC(=O)C=C(C1=O)OC)OC(=O)C
Canonical Smiles
CCCCCCCCCCCCCC(CC1=CC(=O)C=C(C1=O)OC)OC(=O)C
Herb Alias Names
66398-68-31-(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadecan-2-yl acetateCHEMBL4552664DTXSID20331924C102982-(2-Acetoxypentadecyl)-6-methoxy-1,4-benzoquinone1-[(5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]tetradecyl acetateAC1L9DAK1-((5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl)tetradecyl acetate
Molecular Weight
406.270
Molecular Weight
406.6 g/mol
Molecular Formula
C24H38O5
Molecular Formula
C24H38O5
Molecular Formula
C24H38O5
Num Rotatable Bonds
16
Fda Maximum Daily Dose (Fdamdd)
0.756
Quantitative Estimate Of Drug Likeness（Qed）
0.146