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
- 5203
- Core Entity Id
- 8971
- Source Entity Count
- 1
- Preferred Name
- (+)-(3r)-3-hydroxy-4,4-dimethyl-4-butyrol-actone
- Name En
- Pubchem Id
- 15565117
- Smiles Canonical
- CC1(C(CC(=O)O1)O)C
- Molecular Formula
- C6H10O3
- Molecular Weight
- 130.1430
- Inchikey
- SIEVQTNTRMBCHO-SCSAIBSYSA-N
- Inchi
- InChI=1S/C6H10O3/c1-6(2)4(7)3-5(8)9-6/h4,7H,3H2,1-2H3/t4-/m1/s1
- Isomeric Smiles
- CC1([C@@H](CC(=O)O1)O)C
- Cas Id
- Ob Score
- Mol Logp
- 0.0728
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-(3R)-3-Hydroxy-4,4-dimethyl-4-butyrolactone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-(3r)-3-hydroxy-4,4-dimethyl-4-butyrol-actone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+)-(3r)-3-hydroxy-4,4-dimethyl-4-butyrol-actone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
大叶白头翁
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DA YE BAI TOU WENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Pearleverlasting
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-(3R)-3-Hydroxy-4,4-dimethyl-4-butyrolactone大叶白头翁DA YE BAI TOU WENGCommon Pearleverlasting
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009506
Npass
NPC267838
Tcmid
10047
Pub Chem
15565117
Tcmbank
TCMBANKIN003490TCMBANKIN021587
Itcmdb Generated
ITX-INGREDIENT-664618877A7A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C6H10O3/c1-6(2)4(7)3-5(8)9-6/h4,7H,3H2,1-2H3/t4-/m1/s1
Mol Wt
130.143
Smiles
CC1(C(CC(=O)O1)O)C
Mol Log P
0.07280000000000003
In Ch Ikey
SIEVQTNTRMBCHO-SCSAIBSYSA-N
Tcm Name
大叶白头翁
Tcm Name2
DA YE BAI TOU WENG
Mol2 Path
/TCM_database/2007_3d_all/10048.mol2
Reference
3853
Num Hdonors
1
Tcm Name En
Common Pearleverlasting
Drug Likeness
0.472
Num Hacceptors
3
Isomeric Smiles
CC1([C@@H](CC(=O)O1)O)C
Canonical Smiles
CC1(C(CC(=O)O1)O)C
Molecular Weight
130.14 g/mol
Molecular Formula
C6H10O3
Molecular Formula
C6H10O3
Num Rotatable Bonds
0