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
- 7220
- Core Entity Id
- 11207
- Source Entity Count
- 1
- Preferred Name
- 5r,6s-osmundalactone
- Name En
- Pubchem Id
- 12374457
- Smiles Canonical
- CC1C(C=CC(=O)O1)O
- Molecular Formula
- C6H8O3
- Molecular Weight
- 128.1270
- Inchikey
- TVDPVFPVOHCHQM-UHNVWZDZSA-N
- Inchi
- InChI=1S/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-5,7H,1H3/t4-,5+/m1/s1
- Isomeric Smiles
- C[C@@H]1[C@H](C=CC(=O)O1)O
- Cas Id
- Ob Score
- Mol Logp
- -0.1512
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5R,6S-Osmundalactone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5R,6S-Osmundalactone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5r,6s-osmundalactone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5r,6s-osmundalactone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
紫萁
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZI QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Osmunda Frond
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEMBL2040599
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2040599
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-5,7H,1H3/t4-,5+/m1/s1
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-5,7H,1H3/t4-,5+/m1/s1
Role
alias
Source
HERB_v2
Preferred
No
Name
Osmundalactone
Role
alias
Source
HERB_v2
Preferred
No
Name
Osmundalactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Osumudalactome
Role
alias
Source
HERB_v2
Preferred
No
Name
Osumudalactome
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL18850782
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL18850782
Role
alias
Source
itcmdb_public
Preferred
No
Name
TVDPVFPVOHCHQM-UHNVWZDZSA-
Role
alias
Source
itcmdb_public
Preferred
No
Name
TVDPVFPVOHCHQM-UHNVWZDZSA-
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
紫萁ZI QIJapanese Osmunda FrondCHEMBL2040599InChI=1/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-5,7H,1H3/t4-,5+/m1/s1OsmundalactoneOsumudalactomeSCHEMBL18850782TVDPVFPVOHCHQM-UHNVWZDZSA-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011911
Npass
NPC74146
Tcmid
16244
Pub Chem
12374457
Tcmbank
TCMBANKIN039344
Etcm Ingredient
5R,6S-Osmundalactone
Itcmdb Generated
ITX-INGREDIENT-7E87B2A27FBC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-5,7H,1H3/t4-,5+/m1/s1
Mol Wt
128.127
Mol Log P
-0.1512000000000001
In Ch Ikey
TVDPVFPVOHCHQM-UHNVWZDZSA-N
Tcm Name
紫萁
Tcm Name2
ZI QI
Mol2 Path
/TCM_database/2007_3d_all/16255.mol2
Reference
1521, 2886
Num Hdonors
1
Tcm Name En
Japanese Osmunda Frond
Drug Likeness
0.461
Num Hacceptors
3
Isomeric Smiles
C[C@@H]1[C@H](C=CC(=O)O1)O
Canonical Smiles
CC1C(C=CC(=O)O1)O
Herb Alias Names
OsmundalactoneOsumudalactomeCHEMBL2040599SCHEMBL18850782TVDPVFPVOHCHQM-UHNVWZDZSA-InChI=1/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-5,7H,1H3/t4-,5+/m1/s1
Molecular Weight
128.050
Molecular Formula
C6H8O3
Molecular Formula
C6H8O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.047
Quantitative Estimate Of Drug Likeness（Qed）
0.440