Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18422
- Core Entity Id
- 23655
- Source Entity Count
- 1
- Preferred Name
- Erigerenone b
- Name En
- Pubchem Id
- 10998706
- Smiles Canonical
- CCCC1C(C(=O)C=C1OC)CC(=O)OC
- Molecular Formula
- C12H18O4
- Molecular Weight
- 226.2720
- Inchikey
- NFRUZLCRXIYQPR-RKDXNWHRSA-N
- Inchi
- InChI=1S/C12H18O4/c1-4-5-8-9(6-12(14)16-3)10(13)7-11(8)15-2/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
- Isomeric Smiles
- CCC[C@@H]1[C@H](C(=O)C=C1OC)CC(=O)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.6950
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erigerenone B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Erigerenone B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Erigerenone b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erigerenone b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
一年蓬
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YI NIAN PENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Annual Fleabane
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
一年蓬YI NIAN PENGAnnual Fleabane
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025564
Tcmid
7255
Pub Chem
10998706
Tcmbank
TCMBANKIN037028
Etcm Ingredient
Erigerenone B
Itcmdb Generated
ITX-INGREDIENT-E1878319B3A4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H18O4/c1-4-5-8-9(6-12(14)16-3)10(13)7-11(8)15-2/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
Mol Wt
226.2719999999999
Mol Log P
1.695
In Ch Ikey
NFRUZLCRXIYQPR-RKDXNWHRSA-N
Tcm Name
一年蓬
Tcm Name2
YI NIAN PENG
Mol2 Path
/TCM_database/2007_3d_all/07256.mol2
Reference
4366
Num Hdonors
0
Tcm Name En
Annual Fleabane
Drug Likeness
0.669
Num Hacceptors
4
Isomeric Smiles
CCC[C@@H]1[C@H](C(=O)C=C1OC)CC(=O)OC
Canonical Smiles
CCCC1C(C(=O)C=C1OC)CC(=O)OC
Molecular Weight
226.120
Molecular Formula
C12H18O4
Molecular Formula
C12H18O4
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.030
Quantitative Estimate Of Drug Likeness（Qed）
0.536