Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Meta-analysis: 3Target: 12Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19010
- Core Entity Id
- 24308
- Source Entity Count
- 1
- Preferred Name
- Evoden
- Name En
- Pubchem Id
- 5035
- Smiles Canonical
- C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O
- Molecular Formula
- C28H27NO4S
- Molecular Weight
- 473.5940
- Inchikey
- GZUITABIAKMVPG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
- Isomeric Smiles
- C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O
- Cas Id
- Ob Score
- Mol Logp
- 6.0752
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.3190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Evoden
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Evoden
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Evoden
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Evoden
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
evoden
Role
preferred
Source
TCMBank
Preferred
Yes
Name
84449-90-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
84449-90-1
Role
alias
Source
HERB_v2
Preferred
No
Name
Eviden
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eviden
Role
alias
Source
HERB_v2
Preferred
No
Name
Keoxifene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Keoxifene
Role
alias
Source
HERB_v2
Preferred
No
Name
Pharoxifene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pharoxifene
Role
alias
Source
HERB_v2
Preferred
No
Name
Raloxifeno
Role
alias
Source
itcmdb_public
Preferred
No
Name
Raloxifeno
Role
alias
Source
HERB_v2
Preferred
No
Name
Raloxifeno [Spanish]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Raloxifeno [Spanish]
Role
alias
Source
HERB_v2
Preferred
No
Name
Raloxifenum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Raloxifenum
Role
alias
Source
HERB_v2
Preferred
No
Name
Raloxifenum [Latin]
Role
alias
Source
HERB_v2
Preferred
No
Name
Raloxifenum [Latin]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Raloxiphene
Role
alias
Source
HERB_v2
Preferred
No
Name
Raloxiphene
Role
alias
Source
itcmdb_public
Preferred
No
Name
raloxifene
Role
alias
Source
itcmdb_public
Preferred
No
Name
raloxifene
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
84449-90-1EvidenKeoxifenePharoxifeneRaloxifenoRaloxifeno [Spanish]RaloxifenumRaloxifenum [Latin]Raloxipheneraloxifene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026262
Npass
NPC149571
Tcmid
24969
Sym Map
SMIT02365
Tcm Id
193214414
Pub Chem
5035
Tcmbank
TCMBANKIN003665
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
Mol Wt
473.5940000000002
Smiles
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O
Mol Log P
6.075200000000007
Version
v1,v2
In Ch Ikey
GZUITABIAKMVPG-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.319
Num Hacceptors
6
Isomeric Smiles
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O
Canonical Smiles
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O
Herb Alias Names
raloxifene84449-90-1KeoxifeneRaloxifenumRaloxifenoRaloxifenum [Latin]Raloxifeno [Spanish]PharoxifeneRaloxipheneEviden
Molecular Formula
C28H27NO4S
Num Rotatable Bonds
7