IngredientID 16437

Dehydrocorydaline

C22H24NO4+

Relationship Network

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Herb: 8Ingredient: 1Reference: 4Target: 12Links: 24

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 16437
Core Entity Id: 21439
Source Entity Count: 1
Preferred Name: Dehydrocorydaline
Name En
Pubchem Id: 34781
Smiles Canonical: CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC
Molecular Formula: C22H24NO4+
Molecular Weight: 366.4370
Inchikey: RFKQJTRWODZPHF-UHFFFAOYSA-N
Inchi: InChI=1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1
Isomeric Smiles: CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC
Cas Id: 30045-16-0
Ob Score: 41.9788
Mol Logp: 3.6932
Num H Donors: 0
Num H Acceptors: 4
Num Rotatable Bonds: 4
Drug Likeness: 0.6610
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Dehydrocorydaline

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Dehydrocorydaline

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Dehydrocorydaline

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Dehydrocorydaline

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

dehydrocorydaline

Role

preferred

Source

TCMBank

Preferred

Yes

Name

10605-03-5 (chloride)

Role

alias

Source

TCMBank

Preferred

Name

13-Methylpalmatine

Role

alias

Source

HERB_v2

Preferred

Name

13-Methylpalmatine

Role

alias

Source

itcmdb_public

Preferred

Name

2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

Role

alias

Source

itcmdb_public

Preferred

Name

2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

Role

alias

Source

TCMBank

Preferred

Name

2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

Role

alias

Source

HERB_v2

Preferred

Name

3,4,10,11-TETRAMETHOXY-13-METHYL-7,8-DIHYDRO-6??-AZATETRAPHEN-6-YLIUM

Role

alias

Source

TCMBank

Preferred

Name

30045-16-0

Role

alias

Source

TCMBank

Preferred

Name

30045-16-0

Role

alias

Source

HERB_v2

Preferred

Name

30045-16-0

Role

alias

Source

itcmdb_public

Preferred

Name

5-21-06-00206 (Beilstein Handbook Reference)

Role

alias

Source

HERB_v2

Preferred

Name

5-21-06-00206 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

5-21-06-00206 (Beilstein Handbook Reference)

Role

alias

Source

itcmdb_public

Preferred

Name

7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxy-13-methylberbinium

Role

alias

Source

TCMBank

Preferred

Name

7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxy-13-methylberbinium

Role

alias

Source

itcmdb_public

Preferred

Name

7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxy-13-methylberbinium

Role

alias

Source

HERB_v2

Preferred

Name

8095AH

Role

alias

Source

TCMBank

Preferred

Name

9323AF

Role

alias

Source

TCMBank

Preferred

Name

AC1L1SAF

Role

alias

Source

TCMBank

Preferred

Name

AK546656

Role

alias

Source

TCMBank

Preferred

Name

AKOS030526131

Role

alias

Source

TCMBank

Preferred

Name

BERBINIUM, 7,8,13,13a-TETRADEHYDRO-2,3,9,10-TETRAMETHOXY-13-METHYL-

Role

alias

Source

TCMBank

Preferred

Name

BG01347441

Role

alias

Source

TCMBank

Preferred

Name

BRN 1556798

Role

alias

Source

TCMBank

Preferred

Name

BRN 1556798

Role

alias

Source

itcmdb_public

Preferred

Name

BRN 1556798

Role

alias

Source

HERB_v2

Preferred

Name

C17790

Role

alias

Source

TCMBank

Preferred

Name

C22H24NO4

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:81342

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:81342

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:81342

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL1917176

Role

alias

Source

TCMBank

Preferred

Name

DHC

Role

alias

Source

TCMBank

Preferred

Name

DTXSID30904183

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID30904183

Role

alias

Source

itcmdb_public

Preferred

Name

Dehydrocorydalin

Role

alias

Source

HERB_v2

Preferred

Name

Dehydrocorydalin

Role

alias

Source

itcmdb_public

Preferred

Name

Dehydrocorydalin

Role

alias

Source

TCMBank

Preferred

Name

Dehydrocorydaline

Role

alias

Source

TCMBank

Preferred

Name

Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl- (9CI)

Role

alias

Source

TCMBank

Preferred

Name

Dibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl-

Role

alias

Source

TCMBank

Preferred

Name

FT-0624497

Role

alias

Source

TCMBank

Preferred

Name

HY-N0674

Role

alias

Source

TCMBank

Preferred

Name

LS-43470

Role

alias

Source

TCMBank

Preferred

Name

MolPort-020-006-016

Role

alias

Source

TCMBank

Preferred

Name

N2090

Role

alias

Source

TCMBank

Preferred

Name

Q-100383

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL14513602

Role

alias

Source

TCMBank

Preferred

Name

ZINC597214

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

10605-03-5 (chloride)13-Methylpalmatine2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium3,4,10,11-TETRAMETHOXY-13-METHYL-7,8-DIHYDRO-6??-AZATETRAPHEN-6-YLIUM30045-16-05-21-06-00206 (Beilstein Handbook Reference)7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxy-13-methylberbinium8095AH9323AFAC1L1SAFAK546656AKOS030526131BERBINIUM, 7,8,13,13a-TETRADEHYDRO-2,3,9,10-TETRAMETHOXY-13-METHYL-BG01347441BRN 1556798C17790C22H24NO4CHEBI:81342CHEMBL1917176DHCDTXSID30904183DehydrocorydalinDibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl- (9CI)Dibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl-FT-0624497HY-N0674LS-43470MolPort-020-006-016N2090Q-100383SCHEMBL14513602ZINC597214

Cross References

Trusted external identifiers retained for this final record.

Cas

30045-16-0

Herb

HBIN022998

Npass

NPC31930

Tcmid

4888

Tcmsp

MOL004204

Sym Map

SMIT00556

Tcm Id

19311199092234322344223452234651089864

Pub Chem

34781

Tcmbank

TCMBANKIN006653

Etcm Ingredient

Dehydrocorydaline

Itcmdb Generated

ITX-INGREDIENT-B10F194FB868

Attributes

Merged source attributes and domain-specific metadata.

Type

Blood ingredients,Other ingredients

In Ch I

InChI=1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1

Mol Wt

366.4370000000001

Cas Id

30045-16-0

Smiles

CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC

Mol Log P

3.693220000000003

Version

v1,v2

In Ch Ikey

RFKQJTRWODZPHF-UHFFFAOYSA-N

Ob Score

41.97879841.9787980941.979

Suppress

Num Hdonors

Drug Likeness

0.661

Num Hacceptors

Isomeric Smiles

CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC

Molecule Weight

366.47

Canonical Smiles

CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC

Herb Alias Names

Dehydrocorydalin30045-16-013-Methylpalmatine2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-iumBRN 1556798CHEBI:81342DTXSID309041837,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxy-13-methylberbinium5-21-06-00206 (Beilstein Handbook Reference)

Molecular Weight

366.170

Molecular Weight

366.4 g/mol

Molecule Formula

C22H24NO4+

Molecular Formula

C22H24NO4+

Molecular Formula

C22H24NO4+

Molecular Formula

C22H24NO4+

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.380

Quantitative Estimate Of Drug Likeness（Qed）

0.661