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
- 6914
- Core Entity Id
- 10865
- Source Entity Count
- 1
- Preferred Name
- 5-epi-vibsanin k
- Name En
- Pubchem Id
- 10863262
- Smiles Canonical
- CC(=CC(=O)OC=CC1C(C(=O)C(=CCC1(C)CC=CC(C)(C)OO)CO)CC(=O)C)C
- Molecular Formula
- C25H36O7
- Molecular Weight
- 448.5560
- Inchikey
- IWBJGUXNIZBHTO-YYDJBVLTSA-N
- Inchi
- InChI=1S/C25H36O7/c1-17(2)14-22(28)31-13-9-21-20(15-18(3)27)23(29)19(16-26)8-12-25(21,6)11-7-10-24(4,5)32-30/h7-10,13-14,20-21,26,30H,11-12,15-16H2,1-6H3/b10-7+,13-9+/t20-,21+,25+/m1/s1
- Isomeric Smiles
- CC(=CC(=O)O/C=C/[C@H]1[C@H](C(=O)C(=CC[C@]1(C)C/C=C/C(C)(C)OO)CO)CC(=O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.3333
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.1280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Epi-vibsanin K
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-Epi-vibsanin K
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-epi-vibsanin k
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-epi-vibsanin k
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
日本荚蒾
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN JIA MI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Viburnum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本荚蒾RI BEN JIA MIJapanese Viburnum
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011537
Npass
NPC188336
Tcmid
7036
Pub Chem
10863262
Tcmbank
TCMBANKIN046185
Etcm Ingredient
5-Epi-vibsanin K
Itcmdb Generated
ITX-INGREDIENT-79C541C82173
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H36O7/c1-17(2)14-22(28)31-13-9-21-20(15-18(3)27)23(29)19(16-26)8-12-25(21,6)11-7-10-24(4,5)32-30/h7-10,13-14,20-21,26,30H,11-12,15-16H2,1-6H3/b10-7+,13-9+/t20-,21+,25+/m1/s1
Mol Wt
448.5560000000002
Mol Log P
4.333300000000003
In Ch Ikey
IWBJGUXNIZBHTO-YYDJBVLTSA-N
Tcm Name
日本荚蒾
Tcm Name2
RI BEN JIA MI
Mol2 Path
/TCM_database/2007_3d_all/07037.mol2
Reference
4168
Num Hdonors
2
Tcm Name En
Japanese Viburnum
Drug Likeness
0.128
Num Hacceptors
7
Isomeric Smiles
CC(=CC(=O)O/C=C/[C@H]1[C@H](C(=O)C(=CC[C@]1(C)C/C=C/C(C)(C)OO)CO)CC(=O)C)C
Canonical Smiles
CC(=CC(=O)OC=CC1C(C(=O)C(=CCC1(C)CC=CC(C)(C)OO)CO)CC(=O)C)C
Molecular Weight
448.250
Molecular Weight
448.5 g/mol
Molecular Formula
C25H36O7
Molecular Formula
C25H36O7
Num Rotatable Bonds
10
Fda Maximum Daily Dose (Fdamdd)
0.937
Quantitative Estimate Of Drug Likeness（Qed）
0.077