IngredientID 19840

Ganodine

C14H15NO2

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Herb: 3Ingredient: 1Links: 3

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 19840
Core Entity Id: 25233
Source Entity Count: 1
Preferred Name: Ganodine
Name En
Pubchem Id: 126543
Smiles Canonical: C1=CC=C(C=C1)CCN2C(=CC=C2C=O)CO
Molecular Formula: C14H15NO2
Molecular Weight: 229.2790
Inchikey: FGJASCOTIIEINS-UHFFFAOYSA-N
Inchi: InChI=1S/C14H15NO2/c16-10-13-6-7-14(11-17)15(13)9-8-12-4-2-1-3-5-12/h1-7,10,17H,8-9,11H2
Isomeric Smiles: C1=CC=C(C=C1)CCN2C(=CC=C2C=O)CO
Cas Id
Ob Score
Mol Logp: 2.0356
Num H Donors: 1
Num H Acceptors: 3
Num Rotatable Bonds: 5
Drug Likeness: 0.7970
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Ganodine

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Ganodine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ganodine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ganodine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

ganodine

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

ganodine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

133086-81-4

Role

alias

Source

TCMBank

Preferred

Name

133086-81-4

Role

alias

Source

itcmdb_public

Preferred

Name

133086-81-4

Role

alias

Source

SymMap_v2

Preferred

Name

133086-81-4

Role

alias

Source

HERB_v2

Preferred

Name

1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(2-phenylethyl)-

Role

alias

Source

TCMBank

Preferred

Name

1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(2-phenylethyl)-

Role

alias

Source

itcmdb_public

Preferred

Name

1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(2-phenylethyl)-

Role

alias

Source

HERB_v2

Preferred

Name

1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(2-phenylethyl)-

Role

alias

Source

SymMap_v2

Preferred

Name

5-(HYDROXYMETHYL)-1-(2-PHENYLETHYL)PYRROLE-2-CARBALDEHYDE

Role

alias

Source

SymMap_v2

Preferred

Name

5-(HYDROXYMETHYL)-1-(2-PHENYLETHYL)PYRROLE-2-CARBALDEHYDE

Role

alias

Source

TCMBank

Preferred

Name

5-(HYDROXYMETHYL)-1-(2-PHENYLETHYL)PYRROLE-2-CARBALDEHYDE

Role

alias

Source

itcmdb_public

Preferred

Name

5-(HYDROXYMETHYL)-1-(2-PHENYLETHYL)PYRROLE-2-CARBALDEHYDE

Role

alias

Source

HERB_v2

Preferred

Name

5-(hydroxymethyl)-1-phenethylpyrrole-2-carbaldehyde

Role

alias

Source

HERB_v2

Preferred

Name

5-(hydroxymethyl)-1-phenethylpyrrole-2-carbaldehyde

Role

alias

Source

TCMBank

Preferred

Name

5-(hydroxymethyl)-1-phenethylpyrrole-2-carbaldehyde

Role

alias

Source

itcmdb_public

Preferred

Name

5-(hydroxymethyl)-1-phenethylpyrrole-2-carbaldehyde

Role

alias

Source

SymMap_v2

Preferred

Name

AC1L2QJ0

Role

alias

Source

SymMap_v2

Preferred

Name

AC1L2QJ0

Role

alias

Source

TCMBank

Preferred

Name

DTXCID2080438

Role

alias

Source

itcmdb_public

Preferred

Name

DTXCID2080438

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID00157947

Role

alias

Source

TCMBank

Preferred

Name

DTXSID00157947

Role

alias

Source

SymMap_v2

Preferred

Name

DTXSID00157947

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID00157947

Role

alias

Source

itcmdb_public

Preferred

Name

Ganoderma alkaloid B

Role

alias

Source

TCMBank

Preferred

Name

Ganoderma alkaloid B

Role

alias

Source

itcmdb_public

Preferred

Name

Ganoderma alkaloid B

Role

alias

Source

HERB_v2

Preferred

Name

Ganoderma alkaloid B

Role

alias

Source

SymMap_v2

Preferred

Name

Ganodine

Role

alias

Source

SymMap_v2

Preferred

Name

Ganodine

Role

alias

Source

TCMBank

Preferred

Name

KB-243876

Role

alias

Source

SymMap_v2

Preferred

Name

KB-243876

Role

alias

Source

TCMBank

Preferred

Name

N-Phenylethyl-2-formyl-5-hydroxymethylpyrrole

Role

alias

Source

TCMBank

Preferred

Name

N-Phenylethyl-2-formyl-5-hydroxymethylpyrrole

Role

alias

Source

itcmdb_public

Preferred

Name

N-Phenylethyl-2-formyl-5-hydroxymethylpyrrole

Role

alias

Source

SymMap_v2

Preferred

Name

N-Phenylethyl-2-formyl-5-hydroxymethylpyrrole

Role

alias

Source

HERB_v2

Preferred

Name

N-Phenylethyl-5-hydroxymethylpyrryl aldehyde

Role

alias

Source

TCMBank

Preferred

Name

N-Phenylethyl-5-hydroxymethylpyrryl aldehyde

Role

alias

Source

itcmdb_public

Preferred

Name

N-Phenylethyl-5-hydroxymethylpyrryl aldehyde

Role

alias

Source

HERB_v2

Preferred

Name

N-Phenylethyl-5-hydroxymethylpyrryl aldehyde

Role

alias

Source

SymMap_v2

Preferred

Name

ZINC6096242

Role

alias

Source

SymMap_v2

Preferred

Name

ZINC6096242

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

133086-81-41H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(2-phenylethyl)-5-(HYDROXYMETHYL)-1-(2-PHENYLETHYL)PYRROLE-2-CARBALDEHYDE5-(hydroxymethyl)-1-phenethylpyrrole-2-carbaldehydeAC1L2QJ0DTXCID2080438DTXSID00157947Ganoderma alkaloid BKB-243876N-Phenylethyl-2-formyl-5-hydroxymethylpyrroleN-Phenylethyl-5-hydroxymethylpyrryl aldehydeZINC6096242

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN027314

Npass

NPC80103

Tcmid

8192

Sym Map

SMIT15498

Pub Chem

126543

Tcmbank

TCMBANKIN046626

Etcm Ingredient

ganodine

Itcmdb Generated

ITX-INGREDIENT-3CA5D987C8AF

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C14H15NO2/c16-10-13-6-7-14(11-17)15(13)9-8-12-4-2-1-3-5-12/h1-7,10,17H,8-9,11H2

Mol Wt

229.279

Smiles

C1=CC=C(C=C1)CCN2C(=CC=C2C=O)CO

Mol Log P

2.0356

Version

v1,v2

In Ch Ikey

FGJASCOTIIEINS-UHFFFAOYSA-N

Suppress

Mol2 Path

/TCM_database/2007_3d_all/08193.mol2

Reference

164

Num Hdonors

Drug Likeness

0.797

Num Hacceptors

Isomeric Smiles

C1=CC=C(C=C1)CCN2C(=CC=C2C=O)CO

Canonical Smiles

C1=CC=C(C=C1)CCN2C(=CC=C2C=O)CO

Herb Alias Names

133086-81-4Ganoderma alkaloid BN-Phenylethyl-5-hydroxymethylpyrryl aldehydeN-Phenylethyl-2-formyl-5-hydroxymethylpyrroleDTXSID001579475-(HYDROXYMETHYL)-1-(2-PHENYLETHYL)PYRROLE-2-CARBALDEHYDE1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(2-phenylethyl)-5-(hydroxymethyl)-1-phenethylpyrrole-2-carbaldehydeDTXCID2080438

Molecular Weight

229.110

Molecular Weight

229.27 g/mol

Molecule Formula

C14H15NO2

Molecular Formula

C14H15NO2

Molecular Formula

C14H15NO2

Molecular Formula

C14H15NO2

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.100

Quantitative Estimate Of Drug Likeness（Qed）

0.797