IngredientID 8988

(8r)-3-oxo-8-hydroxy-polypoda -13e,17e,21-triene

C30H50O2

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Relationship Network

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Herb: 1Ingredient: 1Target: 6Links: 8
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
8988
Core Entity Id
13157
Source Entity Count
1
Preferred Name
(8r)-3-oxo-8-hydroxy-polypoda -13e,17e,21-triene
Name En
Pubchem Id
Smiles Canonical
Molecular Formula
C30H50O2
Molecular Weight
442.8000
Inchikey
Inchi
Isomeric Smiles
Cas Id
Ob Score
44.8340
Mol Logp
Num H Donors
Num H Acceptors
Num Rotatable Bonds
Drug Likeness
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
(8R)-3-Oxo-8-Hydroxy-Polypoda -13E,17E,21-Triene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(8R)-3-Oxo-8-Hydroxy-Polypoda -13E,17E,21-Triene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(8R)-3-oxo-8-hydroxy-polypoda -13E,17E,21-triene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(8R)-3-oxo-8-hydroxy-polypoda -13E,17E,21-triene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(8r)-3-oxo-8-hydroxy-polypoda -13e,17e,21-triene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(8r)-3-oxo-8-hydroxy-polypoda -13e,17e,21-triene
Role
preferred
Source
HERB_v2
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN013891
Tcmsp
MOL001028
Sym Map
SMIT03509
Tcmbank
TCMBANKIN002233
Etcm Ingredient
(8R)-3-oxo-8-hydroxy-polypoda -13E,17E,21-triene
Itcmdb Generated
ITX-INGREDIENT-4B3D6A3F2067

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Version
v1,v2
Ob Score
44.83444.83425944.83425938
Suppress
0
Molecule Weight
442.8
Molecular Weight
442.380
Molecular Weight
442.8
Molecular Formula
C30H50O2
Fda Maximum Daily Dose (Fdamdd)
0.609
Quantitative Estimate Of Drug Likeness(Qed)
0.364