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
- 8939
- Core Entity Id
- 13103
- Source Entity Count
- 1
- Preferred Name
- 8-o-acetylgoniotriol
- Name En
- Pubchem Id
- 101634226
- Smiles Canonical
- CC(=O)OC(C1=CC=CC=C1)C(C2C(C=CC(=O)O2)O)O
- Molecular Formula
- C15H16O6
- Molecular Weight
- 292.2870
- Inchikey
- BWDGXQDVXMUNDT-UNQGMJICSA-N
- Inchi
- InChI=1S/C15H16O6/c1-9(16)20-14(10-5-3-2-4-6-10)13(19)15-11(17)7-8-12(18)21-15/h2-8,11,13-15,17,19H,1H3/t11-,13+,14+,15+/m1/s1
- Isomeric Smiles
- CC(=O)O[C@@H](C1=CC=CC=C1)[C@@H]([C@@H]2[C@@H](C=CC(=O)O2)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.4942
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-O-Acetylgoniotriol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-O-Acetylgoniotriol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8-o-acetylgoniotriol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-o-acetylgoniotriol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
大花哥纳香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DA HUA GE NA XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bigflower Goniothalamus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
大花哥纳香DA HUA GE NA XIANGBigflower Goniothalamus
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013841
Npass
NPC16177
Tcmid
405
Pub Chem
101634226
Tcmbank
TCMBANKIN049435
Etcm Ingredient
8-O-Acetylgoniotriol
Itcmdb Generated
ITX-INGREDIENT-95C8F820E463
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H16O6/c1-9(16)20-14(10-5-3-2-4-6-10)13(19)15-11(17)7-8-12(18)21-15/h2-8,11,13-15,17,19H,1H3/t11-,13+,14+,15+/m1/s1
Mol Wt
292.287
Mol Log P
0.4941999999999998
In Ch Ikey
BWDGXQDVXMUNDT-UNQGMJICSA-N
Tcm Name
大花哥纳香
Tcm Name2
DA HUA GE NA XIANG
Mol2 Path
/TCM_database/2007_3d_all/00405.mol2
Reference
5453
Num Hdonors
2
Tcm Name En
Bigflower Goniothalamus
Drug Likeness
0.785
Num Hacceptors
6
Isomeric Smiles
CC(=O)O[C@@H](C1=CC=CC=C1)[C@@H]([C@@H]2[C@@H](C=CC(=O)O2)O)O
Canonical Smiles
CC(=O)OC(C1=CC=CC=C1)C(C2C(C=CC(=O)O2)O)O
Molecular Weight
292.090
Molecular Formula
C15H16O6
Molecular Formula
C15H16O6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.830