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
- 11299
- Core Entity Id
- 15726
- Source Entity Count
- 1
- Preferred Name
- Ardisinone d
- Name En
- Pubchem Id
- 11418215
- Smiles Canonical
- C1=CC(=C(C(=C1)O)CCCCCCCCCCC(=O)C2=C(C=C(C=C2O)O)O)O
- Molecular Formula
- C23H30O6
- Molecular Weight
- 402.4870
- Inchikey
- FYQJQTJFCKNRBH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H30O6/c24-16-14-21(28)23(22(29)15-16)20(27)11-8-6-4-2-1-3-5-7-10-17-18(25)12-9-13-19(17)26/h9,12-15,24-26,28-29H,1-8,10-11H2
- Isomeric Smiles
- C1=CC(=C(C(=C1)O)CCCCCCCCCCC(=O)C2=C(C=C(C=C2O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.1509
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.2470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ardisinone d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ardisinone d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ardisinone d
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Undecanone, 11-(2,6-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Undecanone, 11-(2,6-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
11-(2,6-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
11-(2,6-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Undecanone, 11-(2,6-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-11-(2,6-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016686
Npass
NPC276972
Tcmid
1648
Pub Chem
11418215
Tcmbank
TCMBANKIN038808
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H30O6/c24-16-14-21(28)23(22(29)15-16)20(27)11-8-6-4-2-1-3-5-7-10-17-18(25)12-9-13-19(17)26/h9,12-15,24-26,28-29H,1-8,10-11H2
Mol Wt
402.487
Smiles
C1=CC(=C(C(=C1)O)CCCCCCCCCCC(=O)C2=C(C=C(C=C2O)O)O)O
Mol Log P
5.150900000000006
In Ch Ikey
FYQJQTJFCKNRBH-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/01648.mol2
Reference
4769
Num Hdonors
5
Drug Likeness
0.247
Num Hacceptors
6
Isomeric Smiles
C1=CC(=C(C(=C1)O)CCCCCCCCCCC(=O)C2=C(C=C(C=C2O)O)O)O
Canonical Smiles
C1=CC(=C(C(=C1)O)CCCCCCCCCCC(=O)C2=C(C=C(C=C2O)O)O)O
Herb Alias Names
11-(2,6-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one1-Undecanone, 11-(2,6-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-
Molecular Weight
402.5 g/mol
Molecular Formula
C23H30O6
Molecular Formula
C23H30O6
Num Rotatable Bonds
12