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
- 9143
- Core Entity Id
- 13328
- Source Entity Count
- 1
- Preferred Name
- (+)-9-deoxygoniopypyrone
- Name En
- Pubchem Id
- 11207053
- Smiles Canonical
- C1C2CC(=O)OC1C(C(O2)C3=CC=CC=C3)O
- Molecular Formula
- C13H14O4
- Molecular Weight
- 234.2510
- Inchikey
- ZPVLUTBGTWEMGV-UKJIMTQDSA-N
- Inchi
- InChI=1S/C13H14O4/c14-11-7-9-6-10(17-11)12(15)13(16-9)8-4-2-1-3-5-8/h1-5,9-10,12-13,15H,6-7H2/t9-,10-,12-,13-/m0/s1
- Isomeric Smiles
- C1[C@H]2CC(=O)O[C@@H]1[C@@H]([C@@H](O2)C3=CC=CC=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 1.1930
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-9-Deoxygoniopypyrone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-9-Deoxygoniopypyrone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-9-deoxygoniopypyrone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-9-deoxygoniopypyrone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
台湾哥纳香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI WAN GE NA XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Taiwan Goniothalamus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Deoxygoniopypyrone A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Deoxygoniopypyrone a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
台湾哥纳香TAI WAN GE NA XIANGTaiwan GoniothalamusDeoxygoniopypyrone A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014084HBIN023367
Npass
NPC11100
Tcmid
51785179
Pub Chem
11207053102591096
Tcmbank
TCMBANKIN044621TCMBANKIN008022
Etcm Ingredient
(+)-9-DeoxygoniopypyroneDeoxygoniopypyrone A
Itcmdb Generated
ITX-INGREDIENT-782AF4E5B411ITX-INGREDIENT-C4EB2BE2005EITX-INGREDIENT-87EC3A9C7C76ITX-INGREDIENT-8A554702EC48
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H14O4/c14-11-7-9-6-10(17-11)12(15)13(16-9)8-4-2-1-3-5-8/h1-5,9-10,12-13,15H,6-7H2/t9-,10-,12-,13-/m0/s1
Mol Wt
234.251
Mol Log P
1.193
In Ch Ikey
ZPVLUTBGTWEMGV-UKJIMTQDSA-N
Tcm Name
台湾哥纳香
Tcm Name2
TAI WAN GE NA XIANG
Mol2 Path
/TCM_database/2007_3d_all/05179.mol2
Reference
4686, 5056
Num Hdonors
1
Tcm Name En
Taiwan Goniothalamus
Drug Likeness
0.742
Num Hacceptors
4
Isomeric Smiles
C1[C@H]2CC(=O)O[C@@H]1[C@@H]([C@@H](O2)C3=CC=CC=C3)O
Canonical Smiles
C1C2CC(=O)OC1C(C(O2)C3=CC=CC=C3)O
Molecular Weight
234.090
Molecular Formula
C13H14O4
Molecular Formula
C13H14O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.368
Quantitative Estimate Of Drug Likeness（Qed）
0.742