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: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31014
- Core Entity Id
- 37656
- Source Entity Count
- 1
- Preferred Name
- Pterosin q
- Name En
- Pubchem Id
- 53438762
- Smiles Canonical
- CC1C(C2=C(C1=O)C(=C(C(=C2)C)C(CO)O)C)O
- Molecular Formula
- C14H18O4
- Molecular Weight
- 250.2940
- Inchikey
- VMJKQMXIGPCGKZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H18O4/c1-6-4-9-12(14(18)8(3)13(9)17)7(2)11(6)10(16)5-15/h4,8,10,13,15-17H,5H2,1-3H3
- Isomeric Smiles
- CC1C(C2=C(C1=O)C(=C(C(=C2)C)C(CO)O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.1949
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pterosin Q
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pterosin q
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pterosin q
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
栗蕨
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LI JUE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Incised Histiopteris
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
54797-09-0
Role
alias
Source
HERB_v2
Preferred
No
Name
54797-09-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-(1,2-Dihydroxyethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-1H-inden-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-(1,2-Dihydroxyethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-1H-inden-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6-(1,2-Dihydroxyethyl)-3-hydroxy-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6-(1,2-Dihydroxyethyl)-3-hydroxy-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-296286
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-296286
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10701490
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10701490
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S)- Pterosin Q
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R,3S)- pterosin Q
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
栗蕨LI JUEIncised Histiopteris54797-09-06-(1,2-Dihydroxyethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-1H-inden-1-one6-(1,2-Dihydroxyethyl)-3-hydroxy-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-oneDB-296286DTXSID10701490(2R,3S)- Pterosin Q
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041206HBIN006502
Npass
NPC42379
Tcmid
1813841785
Sym Map
SMIT19772
Pub Chem
53438762
Tcmbank
TCMBANKIN038058TCMBANKIN000640
Itcmdb Generated
ITX-INGREDIENT-7965B81E1028
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H18O4/c1-6-4-9-12(14(18)8(3)13(9)17)7(2)11(6)10(16)5-15/h4,8,10,13,15-17H,5H2,1-3H3
Mol Wt
250.294
Smiles
CC1C(C2=CC(=C(C(=C2C1=O)C)C(CO)O)C)O
Mol Log P
1.19494
Version
v2
In Ch Ikey
VMJKQMXIGPCGKZ-UHFFFAOYSA-N
Suppress
0
Tcm Name
栗蕨
Tcm Name2
LI JUE
Mol2 Path
/TCM_database/2007_3d_all/18152.mol2
Reference
1521, 3563
Num Hdonors
3
Tcm Name En
Incised Histiopteris
Drug Likeness
0.737
Num Hacceptors
4
Isomeric Smiles
CC1C(C2=C(C1=O)C(=C(C(=C2)C)C(CO)O)C)O
Canonical Smiles
CC1C(C2=C(C1=O)C(=C(C(=C2)C)C(CO)O)C)O
Herb Alias Names
54797-09-0DTXSID10701490DB-2962866-(1,2-Dihydroxyethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-1H-inden-1-one6-(1,2-Dihydroxyethyl)-3-hydroxy-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
Molecular Weight
250.29 g/mol
Molecular Formula
C14H18O4
Molecular Formula
C14H18O4
Num Rotatable Bonds
2