Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Target: 13Links: 22
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11993
- Core Entity Id
- 16497
- Source Entity Count
- 1
- Preferred Name
- Balanophonin
- Name En
- Pubchem Id
- 23252258
- Smiles Canonical
- COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC=O
- Molecular Formula
- C20H20O6
- Molecular Weight
- 356.3740
- Inchikey
- GWCSSLSMGCFIFR-LNFBDUAVSA-N
- Inchi
- InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-10,15,19,22-23H,11H2,1-2H3/b4-3+/t15-,19+/m0/s1
- Isomeric Smiles
- COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)/C=C/C=O
- Cas Id
- Ob Score
- 11.6907
- Mol Logp
- 2.8311
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.6120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-balanophonin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Balanophonin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Balanophonin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Balanophonin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Balanophonin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
葛蕈
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GE XUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Balanophora
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
( inverted exclamation markA)-Balanophonin
Role
alias
Source
HERB_v2
Preferred
No
Name
( inverted exclamation markA)-Balanophonin
Role
alias
Source
itcmdb_public
Preferred
No
Name
()-Balanophonin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Balanophonin
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-3-((2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl)acrylaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-3-((2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl)acrylaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
Role
alias
Source
HERB_v2
Preferred
No
Name
118916-57-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
118916-57-7
Role
alias
Source
HERB_v2
Preferred
No
Name
215319-47-4
Role
alias
Source
HERB_v2
Preferred
No
Name
215319-47-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
BALAPHONIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
BALAPHONIN
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-balanophonin葛蕈GE XUNJapanese Balanophora( inverted exclamation markA)-Balanophonin()-Balanophonin(E)-3-((2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl)acrylaldehyde(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal118916-57-7215319-47-4BALAPHONIN
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017550
Npass
NPC93433
Tcmid
2125
Tcmsp
MOL002056MOL007971
Sym Map
SMIT04368SMIT09312
Pub Chem
23252258
Tcmbank
TCMBANKIN044853
Etcm Ingredient
(+)-balanophonin
Itcmdb Generated
ITX-INGREDIENT-5C67B49A6272
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-10,15,19,22-23H,11H2,1-2H3/b4-3+/t15-,19+/m0/s1
Mol Wt
356.3740000000001
Mol Log P
2.831100000000001
Version
v1,v2
In Ch Ikey
GWCSSLSMGCFIFR-LNFBDUAVSA-N
Ob Score
11.69068611.6906861111.69068611;54.73813546
Suppress
0
Tcm Name
葛蕈
Tcm Name2
GE XUN
Mol2 Path
/TCM_database/2007_3d_all/02125.mol2
Reference
660, 4707
Num Hdonors
2
Tcm Name En
Japanese Balanophora
Drug Likeness
0.612
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)/C=C/C=O
Molecule Weight
354.43
Canonical Smiles
COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)C=CC=O
Herb Alias Names
(+)-Balanophonin118916-57-7215319-47-4(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal( inverted exclamation markA)-BalanophoninBALAPHONIN(+/-)-balanophonin(E)-3-((2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl)acrylaldehyde()-Balanophonin
Molecular Weight
356.130
Molecular Weight
356.4 g/mol
Molecular Formula
C20H20O6
Molecular Formula
C20H20O6
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.485
Quantitative Estimate Of Drug Likeness（Qed）
0.612