IngredientID 15011

Colchine

C22H25NO6

Relationship Network

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Herb: 3Ingredient: 1Target: 12Links: 15

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 15011
Core Entity Id: 19849
Source Entity Count: 1
Preferred Name: Colchine
Name En
Pubchem Id: 2833
Smiles Canonical: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Molecular Formula: C22H25NO6
Molecular Weight: 399.4430
Inchikey: IAKHMKGGTNLKSZ-UHFFFAOYSA-N
Inchi: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
Isomeric Smiles: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Cas Id
Ob Score
Mol Logp: 2.8716
Num H Donors: 1
Num H Acceptors: 6
Num Rotatable Bonds: 5
Drug Likeness: 0.8330
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Colchine

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Colchine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Colchine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Colchine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

colchine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(+-)-COLCHICINE

Role

alias

Source

HERB_v2

Preferred

Name

(+-)-COLCHICINE

Role

alias

Source

itcmdb_public

Preferred

Name

(+/-)-Colchicine

Role

alias

Source

TCMBank

Preferred

Name

(+/-)-Colchicine

Role

alias

Source

SymMap_v2

Preferred

Name

(R/S)-Colchicine

Role

alias

Source

itcmdb_public

Preferred

Name

(R/S)-Colchicine

Role

alias

Source

HERB_v2

Preferred

Name

(R/S)-Colchicine

Role

alias

Source

SymMap_v2

Preferred

Name

(R/S)-Colchicine

Role

alias

Source

TCMBank

Preferred

Name

(S)-Colchicine >95%

Role

alias

Source

TCMBank

Preferred

Name

(S)-Colchicine >95%

Role

alias

Source

SymMap_v2

Preferred

Name

064T868

Role

alias

Source

TCMBank

Preferred

Name

064T868

Role

alias

Source

SymMap_v2

Preferred

Name

1,2,3,10-Tetramethoxy-7-(acetylamino)-5,6,7,9-tetrahydrobenzo[a]heptalene-9-one

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,10-Tetramethoxy-7-(acetylamino)-5,6,7,9-tetrahydrobenzo[a]heptalene-9-one

Role

alias

Source

SymMap_v2

Preferred

Name

16416P

Role

alias

Source

TCMBank

Preferred

Name

16416P

Role

alias

Source

SymMap_v2

Preferred

Name

209810-38-8

Role

alias

Source

HERB_v2

Preferred

Name

209810-38-8

Role

alias

Source

itcmdb_public

Preferred

Name

209810-38-8

Role

alias

Source

TCMBank

Preferred

Name

209810-38-8

Role

alias

Source

SymMap_v2

Preferred

Name

54192-66-4

Role

alias

Source

SymMap_v2

Preferred

Name

54192-66-4

Role

alias

Source

TCMBank

Preferred

Name

54192-66-4

Role

alias

Source

itcmdb_public

Preferred

Name

54192-66-4

Role

alias

Source

HERB_v2

Preferred

Name

AB00830494-06

Role

alias

Source

TCMBank

Preferred

Name

AB00830494-06

Role

alias

Source

SymMap_v2

Preferred

Name

AC-281

Role

alias

Source

TCMBank

Preferred

Name

AC-281

Role

alias

Source

SymMap_v2

Preferred

Name

AC1L1EKN

Role

alias

Source

SymMap_v2

Preferred

Name

AC1L1EKN

Role

alias

Source

TCMBank

Preferred

Name

AC1Q5ODH

Role

alias

Source

TCMBank

Preferred

Name

AC1Q5ODH

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS003381878

Role

alias

Source

TCMBank

Preferred

Name

AKOS003381878

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS016374434

Role

alias

Source

TCMBank

Preferred

Name

AKOS016374434

Role

alias

Source

SymMap_v2

Preferred

Name

AS-14691

Role

alias

Source

TCMBank

Preferred

Name

AS-14691

Role

alias

Source

SymMap_v2

Preferred

Name

Acetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-

Role

alias

Source

TCMBank

Preferred

Name

Acetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-

Role

alias

Source

SymMap_v2

Preferred

Name

Acetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-

Role

alias

Source

itcmdb_public

Preferred

Name

Acetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-

Role

alias

Source

HERB_v2

Preferred

Name

BBL010108

Role

alias

Source

TCMBank

Preferred

Name

BBL010108

Role

alias

Source

SymMap_v2

Preferred

Name

BC216204

Role

alias

Source

TCMBank

Preferred

Name

BC216204

Role

alias

Source

SymMap_v2

Preferred

Name

BRD-A46684810-001-04-6

Role

alias

Source

TCMBank

Preferred

Name

BRD-A46684810-001-04-6

Role

alias

Source

SymMap_v2

Preferred

Name

Benzo[a]heptalen-9(5H)-one,7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-

Role

alias

Source

SymMap_v2

Preferred

Name

Benzo[a]heptalen-9(5H)-one,7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-

Role

alias

Source

TCMBank

Preferred

Name

C22H25NO6

Role

alias

Source

SymMap_v2

Preferred

Name

C22H25NO6

Role

alias

Source

TCMBank

Preferred

Name

CC0177

Role

alias

Source

TCMBank

Preferred

Name

CC0177

Role

alias

Source

SymMap_v2

Preferred

Name

CCG-46868

Role

alias

Source

SymMap_v2

Preferred

Name

CCG-46868

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:23359

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:23359

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:23359

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:23359

Role

alias

Source

SymMap_v2

Preferred

Name

CHEMBL87

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL87

Role

alias

Source

SymMap_v2

Preferred

Name

CTK5C1799

Role

alias

Source

TCMBank

Preferred

Name

CTK5C1799

Role

alias

Source

SymMap_v2

Preferred

Name

Colchine

Role

alias

Source

TCMBank

Preferred

Name

Colchine

Role

alias

Source

SymMap_v2

Preferred

Name

DB01394

Role

alias

Source

TCMBank

Preferred

Name

DB01394

Role

alias

Source

SymMap_v2

Preferred

Name

DTXSID20274387

Role

alias

Source

TCMBank

Preferred

Name

DTXSID20274387

Role

alias

Source

SymMap_v2

Preferred

Name

Epitope ID:141498

Role

alias

Source

TCMBank

Preferred

Name

Epitope ID:141498

Role

alias

Source

SymMap_v2

Preferred

Name

FT-0665155

Role

alias

Source

SymMap_v2

Preferred

Name

FT-0665155

Role

alias

Source

TCMBank

Preferred

Name

HMS2875H17

Role

alias

Source

SymMap_v2

Preferred

Name

HMS2875H17

Role

alias

Source

TCMBank

Preferred

Name

HMS3267B14

Role

alias

Source

SymMap_v2

Preferred

Name

HMS3267B14

Role

alias

Source

TCMBank

Preferred

Name

I06-0591

Role

alias

Source

SymMap_v2

Preferred

Name

I06-0591

Role

alias

Source

TCMBank

Preferred

Name

IAKHMKGGTNLKSZ-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

IAKHMKGGTNLKSZ-UHFFFAOYSA-N

Role

alias

Source

SymMap_v2

Preferred

Name

J-013744

Role

alias

Source

TCMBank

Preferred

Name

J-013744

Role

alias

Source

SymMap_v2

Preferred

Name

KB-295593

Role

alias

Source

TCMBank

Preferred

Name

KB-295593

Role

alias

Source

SymMap_v2

Preferred

Name

KB-86571

Role

alias

Source

TCMBank

Preferred

Name

KB-86571

Role

alias

Source

SymMap_v2

Preferred

Name

KSC621O9T

Role

alias

Source

TCMBank

Preferred

Name

KSC621O9T

Role

alias

Source

SymMap_v2

Preferred

Name

M205

Role

alias

Source

TCMBank

Preferred

Name

M205

Role

alias

Source

SymMap_v2

Preferred

Name

MCULE-7902106432

Role

alias

Source

TCMBank

Preferred

Name

MCULE-7902106432

Role

alias

Source

SymMap_v2

Preferred

Name

MFCD00078484

Role

alias

Source

TCMBank

Preferred

Name

MFCD00078484

Role

alias

Source

SymMap_v2

Preferred

Name

MLS001181527

Role

alias

Source

TCMBank

Preferred

Name

MLS001181527

Role

alias

Source

SymMap_v2

Preferred

Name

MolPort-001-785-612

Role

alias

Source

TCMBank

Preferred

Name

MolPort-001-785-612

Role

alias

Source

SymMap_v2

Preferred

Name

N-((7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7-trihydrobenzo[d]heptalen-7-yl)acetam ide

Role

alias

Source

TCMBank

Preferred

Name

N-((7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7-trihydrobenzo[d]heptalen-7-yl)acetam ide

Role

alias

Source

SymMap_v2

Preferred

Name

N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide

Role

alias

Source

SymMap_v2

Preferred

Name

N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide

Role

alias

Source

itcmdb_public

Preferred

Name

N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide

Role

alias

Source

HERB_v2

Preferred

Name

N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide #

Role

alias

Source

TCMBank

Preferred

Name

N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7-trihydrobenzo[d]heptalen-7-yl)acetamide

Role

alias

Source

TCMBank

Preferred

Name

N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7-trihydrobenzo[d]heptalen-7-yl)acetamide

Role

alias

Source

SymMap_v2

Preferred

Name

N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide

Role

alias

Source

SymMap_v2

Preferred

Name

N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide

Role

alias

Source

TCMBank

Preferred

Name

N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide

Role

alias

Source

itcmdb_public

Preferred

Name

N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide

Role

alias

Source

HERB_v2

Preferred

Name

N-{3,4,5,14-TETRAMETHOXY-13-OXOTRICYCLO[9.5.0.0(2),?]HEXADECA-1(16),2,4,6,11,14-HEXAEN-10-YL}ACETAMIDE

Role

alias

Source

TCMBank

Preferred

Name

N-{3,4,5,14-TETRAMETHOXY-13-OXOTRICYCLO[9.5.0.0(2),?]HEXADECA-1(16),2,4,6,11,14-HEXAEN-10-YL}ACETAMIDE

Role

alias

Source

SymMap_v2

Preferred

Name

N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0

Role

alias

Source

TCMBank

Preferred

Name

N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0(2),]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamide

Role

alias

Source

SymMap_v2

Preferred

Name

N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0(2),]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamide

Role

alias

Source

TCMBank

Preferred

Name

N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0;{2,7}]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamide

Role

alias

Source

SymMap_v2

Preferred

Name

N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0?,?]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamide

Role

alias

Source

SymMap_v2

Preferred

Name

N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0?,?]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamide

Role

alias

Source

TCMBank

Preferred

Name

N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0^{2,7}]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl}acetamide

Role

alias

Source

SymMap_v2

Preferred

Name

N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0^{2,7}]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl}acetamide

Role

alias

Source

TCMBank

Preferred

Name

NCGC00094629-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00094629-01

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00094629-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00094629-02

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00094629-03

Role

alias

Source

TCMBank

Preferred

Name

NCGC00094629-03

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00094629-04

Role

alias

Source

TCMBank

Preferred

Name

NCGC00094629-04

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00094629-05

Role

alias

Source

TCMBank

Preferred

Name

NCGC00094629-05

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00094629-06

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00094629-06

Role

alias

Source

TCMBank

Preferred

Name

NE55304

Role

alias

Source

SymMap_v2

Preferred

Name

NE55304

Role

alias

Source

TCMBank

Preferred

Name

Neuro_000002

Role

alias

Source

TCMBank

Preferred

Name

Neuro_000002

Role

alias

Source

SymMap_v2

Preferred

Name

SBB079703

Role

alias

Source

SymMap_v2

Preferred

Name

SBB079703

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL675246

Role

alias

Source

SymMap_v2

Preferred

Name

SCHEMBL675246

Role

alias

Source

TCMBank

Preferred

Name

SMR000567246

Role

alias

Source

TCMBank

Preferred

Name

SMR000567246

Role

alias

Source

SymMap_v2

Preferred

Name

SR-01000636539-1

Role

alias

Source

SymMap_v2

Preferred

Name

SR-01000636539-1

Role

alias

Source

TCMBank

Preferred

Name

ST056390

Role

alias

Source

TCMBank

Preferred

Name

ST056390

Role

alias

Source

SymMap_v2

Preferred

Name

STK801462

Role

alias

Source

SymMap_v2

Preferred

Name

STK801462

Role

alias

Source

TCMBank

Preferred

Name

TR-031757

Role

alias

Source

SymMap_v2

Preferred

Name

TR-031757

Role

alias

Source

TCMBank

Preferred

Name

Z1431321925

Role

alias

Source

SymMap_v2

Preferred

Name

Z1431321925

Role

alias

Source

TCMBank

Preferred

Name

{2,7}]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamide

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

(+-)-COLCHICINE(+/-)-Colchicine(R/S)-Colchicine(S)-Colchicine >95%064T8681,2,3,10-Tetramethoxy-7-(acetylamino)-5,6,7,9-tetrahydrobenzo[a]heptalene-9-one16416P209810-38-854192-66-4AB00830494-06AC-281AC1L1EKNAC1Q5ODHAKOS003381878AKOS016374434AS-14691Acetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-BBL010108BC216204BRD-A46684810-001-04-6Benzo[a]heptalen-9(5H)-one,7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-C22H25NO6CC0177CCG-46868CHEBI:23359CHEMBL87CTK5C1799DB01394DTXSID20274387Epitope ID:141498FT-0665155HMS2875H17HMS3267B14I06-0591IAKHMKGGTNLKSZ-UHFFFAOYSA-NJ-013744KB-295593KB-86571KSC621O9TM205MCULE-7902106432MFCD00078484MLS001181527MolPort-001-785-612N-((7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7-trihydrobenzo[d]heptalen-7-yl)acetam ideN-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamideN-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide #N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7-trihydrobenzo[d]heptalen-7-yl)acetamideN-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamideN-{3,4,5,14-TETRAMETHOXY-13-OXOTRICYCLO[9.5.0.0(2),?]HEXADECA-1(16),2,4,6,11,14-HEXAEN-10-YL}ACETAMIDEN-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0(2),]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamideN-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0;{2,7}]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamideN-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0?,?]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamideN-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0^{2,7}]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl}acetamideNCGC00094629-01NCGC00094629-02NCGC00094629-03NCGC00094629-04NCGC00094629-05NCGC00094629-06NE55304Neuro_000002SBB079703SCHEMBL675246SMR000567246SR-01000636539-1ST056390STK801462TR-031757Z1431321925{2,7}]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamide

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN021262

Npass

NPC14005

Tcmid

24003

Sym Map

SMIT01975

Tcm Id

5535

Pub Chem

2833

Tcmbank

TCMBANKIN025538

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)

Mol Wt

399.4430000000002

Smiles

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

Mol Log P

2.871600000000002

Version

v1,v2

In Ch Ikey

IAKHMKGGTNLKSZ-UHFFFAOYSA-N

Suppress

Num Hdonors

Drug Likeness

0.833

Num Hacceptors

Isomeric Smiles

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

Canonical Smiles

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

Herb Alias Names

(R/S)-Colchicine209810-38-854192-66-4(+-)-COLCHICINE(+/-)-ColchicineN-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamideCHEBI:23359N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamideAcetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-

Molecular Weight

399.4 g/mol

Molecular Formula

C22H25NO6

Molecular Formula

C22H25NO6

Num Rotatable Bonds