Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30214
- Core Entity Id
- 36768
- Source Entity Count
- 1
- Preferred Name
- Platyphyllonol
- Name En
- Pubchem Id
- 13347312
- Smiles Canonical
- C1=CC(=CC=C1CCC(CC(=O)CCC2=CC=C(C=C2)O)O)O
- Molecular Formula
- C19H22O4
- Molecular Weight
- 314.3810
- Inchikey
- ZBFSUZGUYFFWGY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2
- Isomeric Smiles
- C1=CC(=CC=C1CCC(CC(=O)CCC2=CC=C(C=C2)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9833
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.7000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Platyphyllonol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Platyphyllonol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Platyphyllonol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Platyphyllonol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
赤杨
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHI YANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Alder
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(5S)-5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(5S)-5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-HYDROXY-1,7-BIS(4-HYDROXYPHENYL)HEPTAN-3-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
5-HYDROXY-1,7-BIS(4-HYDROXYPHENYL)HEPTAN-3-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
57089-26-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
57089-26-6
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:182210
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:182210
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90537754
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90537754
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00384784-01!5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00384784-01!5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Platyphyllone
Role
alias
Source
HERB_v2
Preferred
No
Name
Platyphyllone
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1891159
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1891159
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
赤杨CHI YANGJapanese Alder(5S)-5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone5-HYDROXY-1,7-BIS(4-HYDROXYPHENYL)HEPTAN-3-ONE57089-26-6CHEBI:182210DTXSID90537754NCGC00384784-01!5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-onePlatyphylloneSCHEMBL1891159
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040234
Tcmid
17533
Pub Chem
1334731292448097
Tcmbank
TCMBANKIN044139
Etcm Ingredient
Platyphyllonol
Itcmdb Generated
ITX-INGREDIENT-C3B6451F10F9
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2
Mol Wt
314.381
Mol Log P
2.983300000000003
In Ch Ikey
ZBFSUZGUYFFWGY-UHFFFAOYSA-N
Tcm Name
赤杨
Tcm Name2
CHI YANG
Mol2 Path
/TCM_database/2007_3d_all/17547.mol2
Reference
660, 1521, 5505
Num Hdonors
3
Tcm Name En
Japanese Alder
Drug Likeness
0.7
Num Hacceptors
4
Isomeric Smiles
C1=CC(=CC=C1CCC(CC(=O)CCC2=CC=C(C=C2)O)O)O
Canonical Smiles
C1=CC(=CC=C1CCC(CC(=O)CCC2=CC=C(C=C2)O)O)O
Herb Alias Names
5-HYDROXY-1,7-BIS(4-HYDROXYPHENYL)HEPTAN-3-ONE57089-26-6SCHEMBL1891159(5S)-5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanonePlatyphylloneDTXSID90537754CHEBI:182210NCGC00384784-01!5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
Molecular Weight
314.150
Molecular Weight
314.4 g/mol
Molecular Formula
C19H22O4
Molecular Formula
C19H22O4
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.914
Quantitative Estimate Of Drug Likeness（Qed）
0.700