Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 4Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32374
- Core Entity Id
- 39175
- Source Entity Count
- 1
- Preferred Name
- Salipurposide
- Name En
- Pubchem Id
- 3483754
- Smiles Canonical
- C1C(OC2=C(C1=O)C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
- Molecular Formula
- C21H22O10
- Molecular Weight
- 434.3970
- Inchikey
- MFQIWHVVFBCURA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2
- Isomeric Smiles
- C1C(OC2=C(C1=O)C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
- Cas Id
- Ob Score
- 15.6040
- Mol Logp
- -0.0170
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Salipurposide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Salipurposide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Salipurposide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Salipurposide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Salipurposide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Helichrysin B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Helichrysin B
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_001345
Role
alias
Source
itcmdb_public
Preferred
No
Name
MEGxp0_001345
Role
alias
Source
HERB_v2
Preferred
No
Name
salipurposide
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Helichrysin BMEGxp0_001345
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042858
Tcmid
19176
Tcmsp
MOL003426
Sym Map
SMIT05499SMIT17545
Pub Chem
3483754
Tcmbank
TCMBANKIN021590
Etcm Ingredient
Salipurposide
Itcmdb Generated
ITX-INGREDIENT-3CCA97905815
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2
Mol Wt
434.3970000000002
Smiles
C1C(OC2=C(C1=O)C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
Mol Log P
-0.01700000000000013
Version
v1,v2
In Ch Ikey
MFQIWHVVFBCURA-UHFFFAOYSA-N
Ob Score
15.60415.6041458215.604146
Suppress
1
Num Hdonors
6
Drug Likeness
0.385
Num Hacceptors
10
Isomeric Smiles
C1C(OC2=C(C1=O)C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
Molecule Weight
434.43
Canonical Smiles
C1C(OC2=C(C1=O)C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
Herb Alias Names
Helichrysin BMEGxp0_001345
Molecular Weight
434.120
Molecular Weight
434.4 g/mol
Molecular Formula
C21H22O10
Molecular Formula
C21H22O10
Molecular Formula
C21H22O10
Num Rotatable Bonds
4
Link Ingredient Id
5499.0
Fda Maximum Daily Dose (Fdamdd)
0.032
Quantitative Estimate Of Drug Likeness（Qed）
0.385