Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33264
- Core Entity Id
- 40165
- Source Entity Count
- 1
- Preferred Name
- Shizukafuranol
- Name En
- Pubchem Id
- 14239916
- Smiles Canonical
- CC1=COC2=C1CC3C(C2)(CCCC3(C)O)C
- Molecular Formula
- C15H22O2
- Molecular Weight
- 234.3390
- Inchikey
- SUKDEKGXCURCRC-RBSFLKMASA-N
- Inchi
- InChI=1S/C15H22O2/c1-10-9-17-12-8-14(2)5-4-6-15(3,16)13(14)7-11(10)12/h9,13,16H,4-8H2,1-3H3/t13-,14-,15-/m1/s1
- Isomeric Smiles
- CC1=COC2=C1C[C@@H]3[C@@](C2)(CCC[C@@]3(C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.2440
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Shizukafuranol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Shizukafuranol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Shizukafuranol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Shizukafuranol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
银线草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YIN XIAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanise Chloranthus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEMBL4176079
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4176079
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
银线草YIN XIAN CAOJapanise ChloranthusCHEMBL4176079
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043932
Npass
NPC125037
Tcmid
19825
Pub Chem
14239916
Tcmbank
TCMBANKIN042556
Etcm Ingredient
Shizukafuranol
Itcmdb Generated
ITX-INGREDIENT-03A5C7F7A904
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H22O2/c1-10-9-17-12-8-14(2)5-4-6-15(3,16)13(14)7-11(10)12/h9,13,16H,4-8H2,1-3H3/t13-,14-,15-/m1/s1
Mol Wt
234.3389999999999
Mol Log P
3.244020000000003
In Ch Ikey
SUKDEKGXCURCRC-RBSFLKMASA-N
Tcm Name
银线草
Tcm Name2
YIN XIAN CAO
Mol2 Path
/TCM_database/2007_3d_all/19840.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Japanise Chloranthus
Drug Likeness
0.747
Num Hacceptors
2
Isomeric Smiles
CC1=COC2=C1C[C@@H]3[C@@](C2)(CCC[C@@]3(C)O)C
Canonical Smiles
CC1=COC2=C1CC3C(C2)(CCCC3(C)O)C
Herb Alias Names
CHEMBL4176079
Molecular Weight
234.160
Molecular Weight
234.33 g/mol
Molecular Formula
C15H22O2
Molecular Formula
C15H22O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.202
Quantitative Estimate Of Drug Likeness（Qed）
0.747