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
- 6913
- Core Entity Id
- 10864
- Source Entity Count
- 1
- Preferred Name
- 5-epi-vibsanin h
- Name En
- Pubchem Id
- 9980260
- Smiles Canonical
- CC(=CC(=O)OC=CC1C(C(=O)C(=CCC1(C)CC=CC(C)(C)O)CO)CC(=O)C)C
- Molecular Formula
- C25H36O6
- Molecular Weight
- 432.5570
- Inchikey
- IKQKKJHNBJMDBL-YYDJBVLTSA-N
- Inchi
- InChI=1S/C25H36O6/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)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)O)CO)CC(=O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.8360
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.2480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Epi-vibsanin H
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-Epi-vibsanin H
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-epi-vibsanin h
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-epi-vibsanin h
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
HBIN011536
Npass
NPC157579
Tcmid
7035
Pub Chem
9980260
Tcmbank
TCMBANKIN042504
Etcm Ingredient
5-Epi-vibsanin H
Itcmdb Generated
ITX-INGREDIENT-66E9395D5F60
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H36O6/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)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
432.5570000000002
Mol Log P
3.836000000000003
In Ch Ikey
IKQKKJHNBJMDBL-YYDJBVLTSA-N
Tcm Name
日本荚蒾
Tcm Name2
RI BEN JIA MI
Mol2 Path
/TCM_database/2007_3d_all/07036.mol2
Reference
3004, 4168
Num Hdonors
2
Tcm Name En
Japanese Viburnum
Drug Likeness
0.248
Num Hacceptors
6
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)O)CO)CC(=O)C)C
Canonical Smiles
CC(=CC(=O)OC=CC1C(C(=O)C(=CCC1(C)CC=CC(C)(C)O)CO)CC(=O)C)C
Molecular Weight
432.250
Molecular Weight
432.5 g/mol
Molecular Formula
C25H36O6
Molecular Formula
C25H36O6
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.916
Quantitative Estimate Of Drug Likeness（Qed）
0.148