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
- 6910
- Core Entity Id
- 10861
- Source Entity Count
- 1
- Preferred Name
- 5-epi-vibsanin c
- Name En
- Pubchem Id
- 10319743
- Smiles Canonical
- CC(=CCCC1(CC=C(C(=O)C(C1C=COC(=O)C=C(C)C)CC(=O)C)CO)C)C
- Molecular Formula
- C25H36O5
- Molecular Weight
- 416.5580
- Inchikey
- FUJYXGPHSQJMJL-HJYVJTDLSA-N
- Inchi
- InChI=1S/C25H36O5/c1-17(2)8-7-11-25(6)12-9-20(16-26)24(29)21(15-19(5)27)22(25)10-13-30-23(28)14-18(3)4/h8-10,13-14,21-22,26H,7,11-12,15-16H2,1-6H3/b13-10+/t21-,22+,25+/m1/s1
- Isomeric Smiles
- CC(=CCC[C@]1(CC=C(C(=O)[C@@H]([C@@H]1/C=C/OC(=O)C=C(C)C)CC(=O)C)CO)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.8652
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.2510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Epi-vibsanin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-Epi-vibsanin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-epi-vibsanin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-epi-vibsanin c
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
Name
vibsanin c
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本荚蒾RI BEN JIA MIJapanese Viburnumvibsanin c
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011533
Npass
NPC144876
Tcmid
703222427
Pub Chem
10319743
Tcmbank
TCMBANKIN023409TCMBANKIN058896
Etcm Ingredient
5-Epi-vibsanin C
Itcmdb Generated
ITX-INGREDIENT-3BCE85B4D57CITX-INGREDIENT-57C1996C93C7
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H36O5/c1-17(2)8-7-11-25(6)12-9-20(16-26)24(29)21(15-19(5)27)22(25)10-13-30-23(28)14-18(3)4/h8-10,13-14,21-22,26H,7,11-12,15-16H2,1-6H3/b13-10+/t21-,22+,25+/m1/s1
Mol Wt
416.5580000000003
Smiles
CC(=CCCC1(CC=C(C(=O)C(C1C=COC(=O)C=C(C)C)CC(=O)C)CO)C)C
Mol Log P
4.865200000000005
In Ch Ikey
FUJYXGPHSQJMJL-HJYVJTDLSA-N
Tcm Name
日本荚蒾
Tcm Name2
RI BEN JIA MI
Mol2 Path
/TCM_database/2007_3d_all/07033.mol2
Reference
4168
Num Hdonors
1
Tcm Name En
Japanese Viburnum
Drug Likeness
0.251
Num Hacceptors
5
Isomeric Smiles
CC(=CCC[C@]1(CC=C(C(=O)[C@@H]([C@@H]1/C=C/OC(=O)C=C(C)C)CC(=O)C)CO)C)C
Canonical Smiles
CC(=CCCC1(CC=C(C(=O)C(C1C=COC(=O)C=C(C)C)CC(=O)C)CO)C)C
Molecular Weight
416.260
Molecular Weight
416.5 g/mol
Molecular Formula
C25H36O5
Molecular Formula
C25H36O5
Molecular Formula
C25H36O5
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.891
Quantitative Estimate Of Drug Likeness（Qed）
0.133