Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30213
- Core Entity Id
- 36767
- Source Entity Count
- 1
- Preferred Name
- Platyphylline
- Name En
- Pubchem Id
- 5281742
- Smiles Canonical
- CC=C1CC(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C
- Molecular Formula
- C18H27NO5
- Molecular Weight
- 337.4160
- Inchikey
- BTHCJHQOYFUIMG-REYNEDSXSA-N
- Inchi
- InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18-/m1/s1
- Isomeric Smiles
- C/C=C\1/C[C@H]([C@@](C(=O)OC[C@H]2CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.2727
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Platyphylline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Platyphylline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Platyphylline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Platyphylline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
platyphylline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1-alpha)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
(1-alpha)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
480-78-4
Role
alias
Source
HERB_v2
Preferred
No
Name
480-78-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
A91172AJBY
Role
alias
Source
itcmdb_public
Preferred
No
Name
A91172AJBY
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 207-558-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 207-558-6
Role
alias
Source
HERB_v2
Preferred
No
Name
PLATYPHYLLINE [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
PLATYPHYLLINE [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
PLATYPHYLLINE [WHO-DD]
Role
alias
Source
itcmdb_public
Preferred
No
Name
PLATYPHYLLINE [WHO-DD]
Role
alias
Source
HERB_v2
Preferred
No
Name
Platiphillin
Role
alias
Source
HERB_v2
Preferred
No
Name
Platiphillin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Platiphyllin
Role
alias
Source
HERB_v2
Preferred
No
Name
Platiphyllin
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-A91172AJBY
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-A91172AJBY
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC4817630
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1-alpha)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione480-78-4A91172AJBYEINECS 207-558-6PLATYPHYLLINE [MI]PLATYPHYLLINE [WHO-DD]PlatiphillinPlatiphyllinUNII-A91172AJBYZINC4817630
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040233
Tcmid
17532
Sym Map
SMIT17265
Pub Chem
5281742
Tcmbank
TCMBANKIN025977
Etcm Ingredient
Platyphylline
Itcmdb Generated
ITX-INGREDIENT-62CCD6C04030
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18-/m1/s1
Mol Wt
337.4160000000001
Smiles
CC=C1CC(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C
Mol Log P
1.2727
Version
v1,v2
In Ch Ikey
BTHCJHQOYFUIMG-REYNEDSXSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.53
Num Hacceptors
6
Isomeric Smiles
C/C=C\1/C[C@H]([C@@](C(=O)OC[C@H]2CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C
Canonical Smiles
CC=C1CC(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C
Herb Alias Names
480-78-4PlatiphyllinPlatiphillinEINECS 207-558-6UNII-A91172AJBYA91172AJBYPLATYPHYLLINE [MI]PLATYPHYLLINE [WHO-DD](1-alpha)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione
Molecular Weight
337.190
Molecular Weight
337.4 g/mol
Molecular Formula
C18H27NO5
Molecular Formula
C18H27NO5
Molecular Formula
C18H27NO5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.907
Quantitative Estimate Of Drug Likeness（Qed）
0.530