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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8737
- Core Entity Id
- 12879
- Source Entity Count
- 1
- Preferred Name
- 8-acetyl goniofufurone
- Name En
- Pubchem Id
- 6324922
- Smiles Canonical
- CC(=O)OC(C1C(C2C(O1)CC(=O)O2)O)C3=CC=CC=C3
- Molecular Formula
- C15H16O6
- Molecular Weight
- 292.2870
- Inchikey
- CAZGVFIGKZCVNB-YZONPRECSA-N
- Inchi
- InChI=1S/C15H16O6/c1-8(16)19-13(9-5-3-2-4-6-9)15-12(18)14-10(20-15)7-11(17)21-14/h2-6,10,12-15,18H,7H2,1H3/t10-,12-,13?,14+,15+/m0/s1
- Isomeric Smiles
- CC(=O)OC([C@H]1[C@H]([C@H]2[C@@H](O1)CC(=O)O2)O)C3=CC=CC=C3
- Cas Id
- Ob Score
- Mol Logp
- 0.7346
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Acetyl goniofufurone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8-acetyl goniofufurone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-acetyl goniofufurone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
8-acetyl goniofufurone
Role
preferred
Source
HERB_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013611
Npass
NPC33364
Tcmid
404
Pub Chem
6324922
Tcmbank
TCMBANKIN027670
Etcm Ingredient
8-Acetyl goniofufurone
Itcmdb Generated
ITX-INGREDIENT-3AEE0E510AA6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H16O6/c1-8(16)19-13(9-5-3-2-4-6-9)15-12(18)14-10(20-15)7-11(17)21-14/h2-6,10,12-15,18H,7H2,1H3/t10-,12-,13?,14+,15+/m0/s1
Mol Wt
292.287
Smiles
CC(=O)OC(C1C(C2C(O1)CC(=O)O2)O)C3=CC=CC=C3
Mol Log P
0.7345999999999997
In Ch Ikey
CAZGVFIGKZCVNB-YZONPRECSA-N
Num Hdonors
1
Drug Likeness
0.827
Num Hacceptors
6
Isomeric Smiles
CC(=O)OC([C@H]1[C@H]([C@H]2[C@@H](O1)CC(=O)O2)O)C3=CC=CC=C3
Canonical Smiles
CC(=O)OC(C1C(C2C(O1)CC(=O)O2)O)C3=CC=CC=C3
Molecular Weight
292.090
Molecular Formula
C15H16O6
Molecular Formula
C15H16O6
Molecular Formula
C15H16O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.827