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
- 34248
- Core Entity Id
- 41263
- Source Entity Count
- 1
- Preferred Name
- Sweroside aglycone
- Name En
- Pubchem Id
- 203797
- Smiles Canonical
- C=CC1C2CCOC(=O)C2=COC1O
- Molecular Formula
- C10H12O4
- Molecular Weight
- 196.2020
- Inchikey
- HBAKFDGYROBYSH-BKPPORCPSA-N
- Inchi
- InChI=1S/C10H12O4/c1-2-6-7-3-4-13-10(12)8(7)5-14-9(6)11/h2,5-7,9,11H,1,3-4H2/t6-,7+,9-/m1/s1
- Isomeric Smiles
- C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O
- Cas Id
- 15215-11-9
- Ob Score
- 68.6830
- Mol Logp
- 0.5842
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sweroside Aglycone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sweroside Aglycone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sweroside aglycone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sweroside aglycone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sweroside aglycone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sweroside aglycone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4aS,5R,6R)-5-ethenyl-6-hydroxy-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(4aS,5R,6R)-6-hydroxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
15215-11-9
Role
alias
Source
HERB_v2
Preferred
No
Name
15215-11-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
15215-11-9
Role
alias
Source
TCMBank
Preferred
No
Name
1H,3H-Pyrano(3,4-c)pyran-1-one, 4,4a-beta,5,6-tetrahydro-6-alpha-hydroxy-5-alpha-vinyl-
Role
alias
Source
TCMBank
Preferred
No
Name
1H,3H-Pyrano(3,4-c)pyran-1-one, 4,4a-beta,5,6-tetrahydro-6-alpha-hydroxy-5-alpha-vinyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H,3H-Pyrano(3,4-c)pyran-1-one, 4,4a-beta,5,6-tetrahydro-6-alpha-hydroxy-5-alpha-vinyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-, (4aalpha,5beta,6alpha)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-, (4aalpha,5beta,6alpha)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-, (4aalpha,5beta,6alpha)-
Role
alias
Source
TCMBank
Preferred
No
Name
5-Ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-1H,3H-pyrano(3,4-c)pyran-1-one (4aalpha,5beta,6alpha)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-1H,3H-pyrano(3,4-c)pyran-1-one (4aalpha,5beta,6alpha)-
Role
alias
Source
TCMBank
Preferred
No
Name
5-Ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-1H,3H-pyrano(3,4-c)pyran-1-one (4aalpha,5beta,6alpha)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-alpha-Hydroxy-5-alpha-vinyl-4,4a-beta,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6-alpha-Hydroxy-5-alpha-vinyl-4,4a-beta,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
6-alpha-Hydroxy-5-alpha-vinyl-4,4a-beta,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
C22677
Role
alias
Source
itcmdb_public
Preferred
No
Name
C22677
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70164961
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70164961
Role
alias
Source
HERB_v2
Preferred
No
Name
HBAKFDGYROBYSH-BKPPORCPSA-
Role
alias
Source
itcmdb_public
Preferred
No
Name
HBAKFDGYROBYSH-BKPPORCPSA-
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C10H12O4/c1-2-6-7-3-4-13-10(12)8(7)5-14-9(6)11/h2,5-7,9,11H,1,3-4H2/t6-,7+,9-/m1/s1
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C10H12O4/c1-2-6-7-3-4-13-10(12)8(7)5-14-9(6)11/h2,5-7,9,11H,1,3-4H2/t6-,7+,9-/m1/s1
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4aS,5R,6R)-5-ethenyl-6-hydroxy-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one(4aS,5R,6R)-6-hydroxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one15215-11-91H,3H-Pyrano(3,4-c)pyran-1-one, 4,4a-beta,5,6-tetrahydro-6-alpha-hydroxy-5-alpha-vinyl-1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-, (4aalpha,5beta,6alpha)-5-Ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-1H,3H-pyrano(3,4-c)pyran-1-one (4aalpha,5beta,6alpha)-6-alpha-Hydroxy-5-alpha-vinyl-4,4a-beta,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-oneC22677DTXSID70164961HBAKFDGYROBYSH-BKPPORCPSA-InChI=1/C10H12O4/c1-2-6-7-3-4-13-10(12)8(7)5-14-9(6)11/h2,5-7,9,11H,1,3-4H2/t6-,7+,9-/m1/s1
Cross References
Trusted external identifiers retained for this final record.
Cas
15215-11-9
Herb
HBIN045176
Tcmsp
MOL000651
Sym Map
SMIT03200
Pub Chem
203797
Tcmbank
TCMBANKIN036371
Etcm Ingredient
Sweroside aglycone
Itcmdb Generated
ITX-INGREDIENT-72787BC759D3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H12O4/c1-2-6-7-3-4-13-10(12)8(7)5-14-9(6)11/h2,5-7,9,11H,1,3-4H2/t6-,7+,9-/m1/s1
Mol Wt
196.202
Cas Id
15215-11-9
Smiles
C=CC1C2CCOC(=O)C2=COC1O
Mol Log P
0.5841999999999998
Version
v1,v2
In Ch Ikey
HBAKFDGYROBYSH-BKPPORCPSA-N
Ob Score
68.68368.683117668.683118
Suppress
0
Num Hdonors
1
Drug Likeness
0.492
Num Hacceptors
4
Isomeric Smiles
C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O
Molecule Weight
196.22
Canonical Smiles
C=CC1C2CCOC(=O)C2=COC1O
Herb Alias Names
15215-11-91H,3H-Pyrano(3,4-c)pyran-1-one, 4,4a-beta,5,6-tetrahydro-6-alpha-hydroxy-5-alpha-vinyl-6-alpha-Hydroxy-5-alpha-vinyl-4,4a-beta,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-one5-Ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-1H,3H-pyrano(3,4-c)pyran-1-one (4aalpha,5beta,6alpha)-HBAKFDGYROBYSH-BKPPORCPSA-DTXSID701649611H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-, (4aalpha,5beta,6alpha)-C22677InChI=1/C10H12O4/c1-2-6-7-3-4-13-10(12)8(7)5-14-9(6)11/h2,5-7,9,11H,1,3-4H2/t6-,7+,9-/m1/s1
Molecular Weight
196.070
Molecular Weight
196.2
Molecular Formula
C10H12O4
Molecular Formula
C10H12O4
Molecular Formula
C10H12O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.819
Quantitative Estimate Of Drug Likeness（Qed）
0.492