Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19016
- Core Entity Id
- 24315
- Source Entity Count
- 1
- Preferred Name
- Evofolinb
- Name En
- Pubchem Id
- 5317306
- Smiles Canonical
- COC1=C(C=CC(=C1)C(CO)C(=O)C2=C(C(=CC=C2)O)OC)O
- Molecular Formula
- C17H18O6
- Molecular Weight
- 318.3250
- Inchikey
- DYASZEZROAXNEX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H18O6/c1-22-15-8-10(6-7-13(15)19)12(9-18)16(21)11-4-3-5-14(20)17(11)23-2/h3-8,12,18-20H,9H2,1-2H3
- Isomeric Smiles
- COC1=C(C=CC(=C1)C(CO)C(=O)C2=C(C(=CC=C2)O)OC)O
- Cas Id
- Ob Score
- 6.5074
- Mol Logp
- 2.0738
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.7060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(±)evofolin B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Evofolin-B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Evofolinb
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Evofolinb
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
evofolinB
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Evofolin B
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Evofolin B
Role
alias
Source
HERB_v2
Preferred
No
Name
8R-Evofolin B
Role
alias
Source
itcmdb_public
Preferred
No
Name
8R-Evofolin B
Role
alias
Source
HERB_v2
Preferred
No
Name
Evafolin B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Evafolin B
Role
alias
Source
HERB_v2
Preferred
No
Name
evofolin-B
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(±)evofolin BEvofolin-B(-)-Evofolin B8R-Evofolin BEvafolin B
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026271
Tcmid
34474345687669
Tcmsp
MOL002057MOL007022
Sym Map
SMIT04369SMIT08539
Pub Chem
531730691895377
Tcmbank
TCMBANKIN033521
Etcm Ingredient
(±)evofolin B
Itcmdb Generated
ITX-INGREDIENT-882162BB36DC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H18O6/c1-22-15-8-10(6-7-13(15)19)12(9-18)16(21)11-4-3-5-14(20)17(11)23-2/h3-8,12,18-20H,9H2,1-2H3
Mol Wt
318.325
Smiles
COC1=C(C=CC(=C1)C(CO)C(=O)C2=C(C(=CC=C2)O)OC)O
Mol Log P
2.0738
Version
v1
In Ch Ikey
DYASZEZROAXNEX-UHFFFAOYSA-N
Ob Score
6.50736249664.73661764.737
Suppress
0
Num Hdonors
3
Drug Likeness
0.706
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=CC(=C1)C(CO)C(=O)C2=C(C(=CC=C2)O)OC)O
Molecule Weight
318.35
Canonical Smiles
COC1=C(C=CC(=C1)C(CO)C(=O)C2=C(C(=CC=C2)O)OC)O
Herb Alias Names
(-)-Evofolin B8R-Evofolin BEvafolin B
Molecular Weight
318.110
Molecular Weight
318.32 g/mol
Molecular Formula
C17H18O6
Molecular Formula
C17H18O6
Molecular Formula
C17H18O6
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness（Qed）
0.706