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
- 18423
- Core Entity Id
- 23657
- Source Entity Count
- 1
- Preferred Name
- Erigerenone c
- Name En
- Pubchem Id
- 10944093
- Smiles Canonical
- CC1C=CC(=CC(=O)CC1C(=O)OC)OC
- Molecular Formula
- C12H16O4
- Molecular Weight
- 224.2560
- Inchikey
- JJFGPKSBGIFXSO-KNJNZIGSSA-N
- Inchi
- InChI=1S/C12H16O4/c1-8-4-5-10(15-2)6-9(13)7-11(8)12(14)16-3/h4-6,8,11H,7H2,1-3H3/b5-4-,10-6+/t8-,11+/m0/s1
- Isomeric Smiles
- C[C@H]1/C=C\C(=C/C(=O)C[C@H]1C(=O)OC)\OC
- Cas Id
- Ob Score
- Mol Logp
- 1.4710
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erigerenone c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erigerenone c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
erigerenone c
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025565
Tcmid
7256
Pub Chem
10944093
Tcmbank
TCMBANKIN041969
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H16O4/c1-8-4-5-10(15-2)6-9(13)7-11(8)12(14)16-3/h4-6,8,11H,7H2,1-3H3/b5-4-,10-6+/t8-,11+/m0/s1
Mol Wt
224.256
Smiles
CC1C=CC(=CC(=O)CC1C(=O)OC)OC
Mol Log P
1.471
In Ch Ikey
JJFGPKSBGIFXSO-KNJNZIGSSA-N
Mol2 Path
/TCM_database/2007_3d_all/07257.mol2
Reference
4366
Num Hdonors
0
Drug Likeness
0.666
Num Hacceptors
4
Isomeric Smiles
C[C@H]1/C=C\C(=C/C(=O)C[C@H]1C(=O)OC)\OC
Canonical Smiles
CC1C=CC(=CC(=O)CC1C(=O)OC)OC
Molecular Formula
C12H16O4
Molecular Formula
C12H16O4
Num Rotatable Bonds
2