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
- 33075
- Core Entity Id
- 39956
- Source Entity Count
- 1
- Preferred Name
- (+)-senecioylprangol
- Name En
- Pubchem Id
- 102369736
- Smiles Canonical
- CC(=CC(=O)OC(CC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O)C
- Molecular Formula
- C21H22O6
- Molecular Weight
- 370.4010
- Inchikey
- RHYFXMSGUANHAB-GOSISDBHSA-N
- Inchi
- InChI=1S/C21H22O6/c1-12(2)9-20(23)27-18(21(3,4)24)10-15-13-5-6-19(22)26-17(13)11-16-14(15)7-8-25-16/h5-9,11,18,24H,10H2,1-4H3/t18-/m1/s1
- Isomeric Smiles
- CC(=CC(=O)O[C@H](CC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.7306
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-Senecioylprangol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-senecioylprangol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+)-senecioylprangol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
具毛类阿魏
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JU MAO LEI A WEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
具毛类阿魏JU MAO LEI A WEI
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043699
Tcmid
19696
Pub Chem
102369736
Tcmbank
TCMBANKIN045659
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H22O6/c1-12(2)9-20(23)27-18(21(3,4)24)10-15-13-5-6-19(22)26-17(13)11-16-14(15)7-8-25-16/h5-9,11,18,24H,10H2,1-4H3/t18-/m1/s1
Mol Wt
370.4010000000001
Mol Log P
3.730600000000003
In Ch Ikey
RHYFXMSGUANHAB-GOSISDBHSA-N
Tcm Name
具毛类阿魏
Tcm Name2
JU MAO LEI A WEI
Mol2 Path
/TCM_database/2007_3d_all/19711.mol2
Reference
3938
Num Hdonors
1
Drug Likeness
0.418
Num Hacceptors
6
Isomeric Smiles
CC(=CC(=O)O[C@H](CC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O)C
Canonical Smiles
CC(=CC(=O)OC(CC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O)C
Molecular Weight
370.4 g/mol
Molecular Formula
C21H22O6
Num Rotatable Bonds
5