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
- 19484
- Core Entity Id
- 24838
- Source Entity Count
- 1
- Preferred Name
- Fumotoshidin c
- Name En
- Pubchem Id
- 5317422
- Smiles Canonical
- C1(O[H])=C([H])[C@@](C([H])([H])[H])([C@@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@@]([C@@]([H])(C([H])([H])O[H])O[H])(C([H])([H])[H])C2([H])[H])C2=C([H])C3([H])[H])[C@@]3([H])C(C([H])([H])[H])(C([H] )([H])[H])C1=O
- Molecular Formula
- C21H32O4
- Molecular Weight
- 348.4830
- Inchikey
- IHRREYLQKRPIHM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H32O4/c1-18(2)15-7-6-13-10-19(3,16(24)12-22)8-9-20(13,4)21(15,5)11-14(23)17(18)25/h6,11,15-16,22-24H,7-10,12H2,1-5H3
- Isomeric Smiles
- CC1(C2CC=C3CC(CCC3(C2(C=C(C1=O)O)C)C)(C)C(CO)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.5395
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fumotoshidin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Fumotoshidin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Fumotoshidin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fumotoshidin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
边缘鳞盖蕨
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BIAN YUAN LIN GAI JUE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Marginate Microlepia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
边缘鳞盖蕨BIAN YUAN LIN GAI JUEMarginate Microlepia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026833
Npass
NPC264443
Tcmid
8000
Pub Chem
5317422
Tcmbank
TCMBANKIN038110
Etcm Ingredient
Fumotoshidin C
Itcmdb Generated
ITX-INGREDIENT-0BED303C361D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H32O4/c1-18(2)15-7-6-13-10-19(3,16(24)12-22)8-9-20(13,4)21(15,5)11-14(23)17(18)25/h6,11,15-16,22-24H,7-10,12H2,1-5H3
Mol Wt
348.4830000000001
Smiles
C1(O[H])=C([H])[C@@](C([H])([H])[H])([C@@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@@]([C@@]([H])(C([H])([H])O[H])O[H])(C([H])([H])[H])C2([H])[H])C2=C([H])C3([H])[H])[C@@]3([H])C(C([H])([H])[H])(C([H]
)([H])[H])C1=O
Mol Log P
3.539500000000003
In Ch Ikey
IHRREYLQKRPIHM-UHFFFAOYSA-N
Tcm Name
边缘鳞盖蕨
Tcm Name2
BIAN YUAN LIN GAI JUE
Mol2 Path
/TCM_database/2003_3d_all/3168.mol2
Reference
1538
Num Hdonors
3
Tcm Name En
Marginate Microlepia
Drug Likeness
0.667
Num Hacceptors
4
Isomeric Smiles
CC1(C2CC=C3CC(CCC3(C2(C=C(C1=O)O)C)C)(C)C(CO)O)C
Canonical Smiles
CC1(C2CC=C3CC(CCC3(C2(C=C(C1=O)O)C)C)(C)C(CO)O)C
Molecular Weight
348.230
Molecular Formula
C21H32O4
Molecular Formula
C21H32O4
Molecular Formula
C21H32O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.789
Quantitative Estimate Of Drug Likeness（Qed）
0.594