Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 3Ingredient: 1Target: 4Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29685
- Core Entity Id
- 36179
- Source Entity Count
- 1
- Preferred Name
- Phlobaphene
- Name En
- Pubchem Id
- 1548955
- Smiles Canonical
- CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3
- Molecular Formula
- C26H28ClNO
- Molecular Weight
- 405.9690
- Inchikey
- GKIRPKYJQBWNGO-QPLCGJKRSA-N
- Inchi
- InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25-
- Isomeric Smiles
- CCN(CC)CCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\Cl)/C3=CC=CC=C3
- Cas Id
- Ob Score
- Mol Logp
- 6.5626
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.3730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phlobaphene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Phlobaphene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phlobaphene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Phlobaphene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
phlobaphene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
15690-55-8
Role
alias
Source
HERB_v2
Preferred
No
Name
15690-55-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
911-45-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
911-45-5
Role
alias
Source
HERB_v2
Preferred
No
Name
CIS-CLOMIPHENE HCL
Role
alias
Source
itcmdb_public
Preferred
No
Name
CIS-CLOMIPHENE HCL
Role
alias
Source
HERB_v2
Preferred
No
Name
Cisclomiphene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Clomifene
Role
alias
Source
HERB_v2
Preferred
No
Name
Clomifene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zuclomifene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zuclomifene
Role
alias
Source
HERB_v2
Preferred
No
Name
Zuclomiphene
Role
alias
Source
HERB_v2
Preferred
No
Name
Zuclomiphene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zuclomiphene [USAN]
Role
alias
Source
HERB_v2
Preferred
No
Name
Zuclomiphene [USAN]
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-Clomiphene
Role
alias
Source
HERB_v2
Preferred
No
Name
clomiphene
Role
alias
Source
itcmdb_public
Preferred
No
Name
clomiphene
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
15690-55-8911-45-5CIS-CLOMIPHENE HCLCisclomipheneClomifeneZuclomifeneZuclomipheneZuclomiphene [USAN]cis-Clomipheneclomiphene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039564
Npass
NPC255253
Tcmid
25066
Sym Map
SMIT02401
Tcm Id
1797
Pub Chem
1548955
Tcmbank
TCMBANKIN021102
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25-
Mol Wt
405.9690000000001
Smiles
CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3
Mol Log P
6.562600000000007
Version
v1,v2
In Ch Ikey
GKIRPKYJQBWNGO-QPLCGJKRSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.373
Num Hacceptors
2
Isomeric Smiles
CCN(CC)CCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\Cl)/C3=CC=CC=C3
Canonical Smiles
CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3
Herb Alias Names
ZuclomipheneClomifeneclomipheneZuclomifenecis-Clomiphene15690-55-8CIS-CLOMIPHENE HCLZuclomiphene [USAN]911-45-5Cisclomiphene
Molecular Formula
C26H28ClNO
Num Rotatable Bonds
9