Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 8Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31275
- Core Entity Id
- 37949
- Source Entity Count
- 1
- Preferred Name
- Rengyolone
- Name En
- Pubchem Id
- 10725564
- Smiles Canonical
- C1COC2C1(C=CC(=O)C2)O
- Molecular Formula
- C8H10O3
- Molecular Weight
- 154.1650
- Inchikey
- HSGPAWIMHOPPDA-JGVFFNPUSA-N
- Inchi
- InChI=1S/C8H10O3/c9-6-1-2-8(10)3-4-11-7(8)5-6/h1-2,7,10H,3-5H2/t7-,8+/m0/s1
- Isomeric Smiles
- C1CO[C@@H]2[C@]1(C=CC(=O)C2)O
- Cas Id
- Ob Score
- 17.8756
- Mol Logp
- 0.0354
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rengyolone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Rengyolone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rengyolone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Rengyolone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
rengyolone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
柃木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LING MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Eurya
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-Rengyolone
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Rengyolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3AS,7AS)-3A-HYDROXY-2,3,7,7A-TETRAHYDRO-1-BENZOFURAN-6-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
(3AS,7AS)-3A-HYDROXY-2,3,7,7A-TETRAHYDRO-1-BENZOFURAN-6-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3aR,7aR)-3,3a,7,7a-Tetrahydro-3a-hydroxy-6(2H)-benzofuranone
Role
alias
Source
HERB_v2
Preferred
No
Name
(3aR,7aR)-3,3a,7,7a-Tetrahydro-3a-hydroxy-6(2H)-benzofuranone
Role
alias
Source
itcmdb_public
Preferred
No
Name
ent-Cleroindicin F
Role
alias
Source
itcmdb_public
Preferred
No
Name
ent-Cleroindicin F
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
柃木LING MUJapanese Eurya(+)-Rengyolone(-)-Rengyolone(3AS,7AS)-3A-HYDROXY-2,3,7,7A-TETRAHYDRO-1-BENZOFURAN-6-ONE(3aR,7aR)-3,3a,7,7a-Tetrahydro-3a-hydroxy-6(2H)-benzofuranoneent-Cleroindicin F
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042073
Npass
NPC11719
Tcmid
18600
Tcmsp
MOL003328
Sym Map
SMIT00532
Pub Chem
10725564
Tcmbank
TCMBANKIN049771
Etcm Ingredient
rengyolone
Itcmdb Generated
ITX-INGREDIENT-0B1FA2D89B0EITX-INGREDIENT-4C6A205FD2FE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H10O3/c9-6-1-2-8(10)3-4-11-7(8)5-6/h1-2,7,10H,3-5H2/t7-,8+/m0/s1
Mol Wt
154.165
Mol Log P
0.03539999999999993
Version
v1,v2
In Ch Ikey
HSGPAWIMHOPPDA-JGVFFNPUSA-N
Ob Score
17.8755741517.876
Suppress
0
Tcm Name
柃木
Tcm Name2
LING MU
Mol2 Path
/TCM_database/2007_3d_all/18615.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Japanese Eurya
Drug Likeness
0.535
Num Hacceptors
3
Isomeric Smiles
C1CO[C@@H]2[C@]1(C=CC(=O)C2)O
Molecule Weight
174.22
Canonical Smiles
C1COC2C1(C=CC(=O)C2)O
Herb Alias Names
ent-Cleroindicin F(3AS,7AS)-3A-HYDROXY-2,3,7,7A-TETRAHYDRO-1-BENZOFURAN-6-ONE(+)-Rengyolone(3aR,7aR)-3,3a,7,7a-Tetrahydro-3a-hydroxy-6(2H)-benzofuranone(-)-Rengyolone
Molecular Weight
174.090
Molecule Formula
C8H10O3
Molecular Formula
C8H14O4
Molecular Formula
C8H10O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.037
Quantitative Estimate Of Drug Likeness（Qed）
0.556