Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11300
- Core Entity Id
- 15727
- Source Entity Count
- 1
- Preferred Name
- Ardisinone e
- Name En
- Pubchem Id
- 11234557
- Smiles Canonical
- C1=CC=C(C(=C1)CCCCCCCCCCC(=O)C2=C(C=C(C=C2O)O)O)O
- Molecular Formula
- C23H30O5
- Molecular Weight
- 386.4880
- Inchikey
- KRAWWRGYJVWEDK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H30O5/c24-18-15-21(27)23(22(28)16-18)20(26)14-8-6-4-2-1-3-5-7-11-17-12-9-10-13-19(17)25/h9-10,12-13,15-16,24-25,27-28H,1-8,11,14H2
- Isomeric Smiles
- C1=CC=C(C(=C1)CCCCCCCCCCC(=O)C2=C(C=C(C=C2O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.4453
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.2870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ardisinone e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ardisinone e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ardisinone e
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-(2,4,6-trihydroxyphenyl)-11-(2-hydroxyphenyl)undecan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(2,4,6-trihydroxyphenyl)-11-(2-hydroxyphenyl)undecan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-(2,4,6-trihydroxyphenyl)-11-(2-hydroxyphenyl)undecan-1-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016687
Npass
NPC20782
Tcmid
1649
Pub Chem
11234557
Tcmbank
TCMBANKIN042661
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H30O5/c24-18-15-21(27)23(22(28)16-18)20(26)14-8-6-4-2-1-3-5-7-11-17-12-9-10-13-19(17)25/h9-10,12-13,15-16,24-25,27-28H,1-8,11,14H2
Mol Wt
386.488
Smiles
C1=CC=C(C(=C1)CCCCCCCCCCC(=O)C2=C(C=C(C=C2O)O)O)O
Mol Log P
5.445300000000007
In Ch Ikey
KRAWWRGYJVWEDK-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/01649.mol2
Reference
4769
Num Hdonors
4
Drug Likeness
0.287
Num Hacceptors
5
Isomeric Smiles
C1=CC=C(C(=C1)CCCCCCCCCCC(=O)C2=C(C=C(C=C2O)O)O)O
Canonical Smiles
C1=CC=C(C(=C1)CCCCCCCCCCC(=O)C2=C(C=C(C=C2O)O)O)O
Herb Alias Names
1-(2,4,6-trihydroxyphenyl)-11-(2-hydroxyphenyl)undecan-1-one
Molecular Weight
386.5 g/mol
Molecular Formula
C23H30O5
Molecular Formula
C23H30O5
Num Rotatable Bonds
12