ITCMDBv1
IngredientID 15010

Colchicoside

C27H33NO11

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 9Ingredient: 1Target: 2Links: 11
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
15010
Core Entity Id
19848
Source Entity Count
1
Preferred Name
Colchicoside
Name En
Pubchem Id
24721008
Smiles Canonical
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O
Molecular Formula
C27H33NO11
Molecular Weight
547.5570
Inchikey
UXAFRQPVHYZDED-ZZEDUEFDSA-N
Inchi
InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,20+,22+,23-,24+,27+/m0/s1
Isomeric Smiles
CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Cas Id
477-29-2
Ob Score
11.7328
Mol Logp
0.0417
Num H Donors
5
Num H Acceptors
11
Num Rotatable Bonds
7
Drug Likeness
0.3170
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Colchicoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Colchicoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Colchicoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Colchicoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
colchicoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-Demethylcolchicine glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Demethylcolchicine glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
477-29-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
477-29-2
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 0072204
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 0072204
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 0072204
Role
alias
Source
TCMBank
Preferred
No
Name
DYD0I854K7
Role
alias
Source
itcmdb_public
Preferred
No
Name
DYD0I854K7
Role
alias
Source
HERB_v2
Preferred
No
Name
EC 207-513-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
EC 207-513-0
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 207-513-0
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 207-513-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 207-513-0
Role
alias
Source
HERB_v2
Preferred
No
Name
N-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Role
alias
Source
TCMBank
Preferred
No
Name
N-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
Role
alias
Source
TCMBank
Preferred
No
Name
N-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Role
alias
Source
TCMBank
Preferred
No
Name
N-[(7S)-1,2,10-trimethoxy-9-oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Role
alias
Source
TCMBank
Preferred
No
Name
N-[(7S)-9-keto-1,2,10-trimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 32992
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 32992
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 32992
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 624672
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 624672
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 624672
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-DYD0I854K7
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-DYD0I854K7
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

3-Demethylcolchicine glucoside477-29-2BRN 0072204DYD0I854K7EC 207-513-0EINECS 207-513-0N-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamideN-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamideN-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamideN-[(7S)-1,2,10-trimethoxy-9-oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamideN-[(7S)-9-keto-1,2,10-trimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamideNSC 32992NSC 624672UNII-DYD0I854K7

Cross References

Trusted external identifiers retained for this final record.

Cas
477-29-2
Herb
HBIN021261
Tcmid
3912
Tcmsp
MOL009457
Sym Map
SMIT00763
Tcm Id
245915536
Pub Chem
2472100892763
Tcmbank
TCMBANKIN024596
Etcm Ingredient
Colchicoside
Itcmdb Generated
ITX-INGREDIENT-5042AE7F88AB

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,20+,22+,23-,24+,27+/m0/s1
Mol Wt
547.5570000000004
Cas Id
477-29-2
Smiles
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O
Mol Log P
0.0417000000000004
Version
v1,v2
In Ch Ikey
UXAFRQPVHYZDED-ZZEDUEFDSA-N
Ob Score
11.7327549511.73275511.733
Suppress
0
Num Hdonors
5
Drug Likeness
0.317
Num Hacceptors
11
Isomeric Smiles
CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Molecule Weight
547.61
Canonical Smiles
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O
Herb Alias Names
477-29-23-Demethylcolchicine glucosideEINECS 207-513-0NSC 32992NSC 624672BRN 0072204DYD0I854K7UNII-DYD0I854K7EC 207-513-0
Molecular Weight
547.210
Molecular Weight
547.55
Molecule Formula
C27H33NO11
Molecular Formula
C27H33NO11
Molecular Formula
C27H33NO11
Molecular Formula
C27H33NO11
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.323
Quantitative Estimate Of Drug Likeness（Qed）
0.317