Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27544
- Core Entity Id
- 33800
- Source Entity Count
- 1
- Preferred Name
- N-formyl-n-deacatylcolchicine
- Name En
- Pubchem Id
- 23890
- Smiles Canonical
- COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC=O
- Molecular Formula
- C21H23NO6
- Molecular Weight
- 385.4160
- Inchikey
- HDSXDWASQCHADG-HNNXBMFYSA-N
- Inchi
- InChI=1S/C21H23NO6/c1-25-17-8-6-13-14(10-16(17)24)15(22-11-23)7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
- Isomeric Smiles
- COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC=O
- Cas Id
- Ob Score
- Mol Logp
- 2.4815
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.7700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-formyl-n-deacatylcolchicine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
N-formyl-n-deacatylcolchicine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7411-12-3
Role
alias
Source
HERB_v2
Preferred
No
Name
7411-12-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
COLCHICINE, N-DEACETYL-N-FORMYL-
Role
alias
Source
HERB_v2
Preferred
No
Name
COLCHICINE, N-DEACETYL-N-FORMYL-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gloriosine
Role
alias
Source
HERB_v2
Preferred
No
Name
Gloriosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Deacetyl-N-formyl Colchicine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Deacetyl-N-formyl Colchicine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Formyldeacetylcolchicine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Formyldeacetylcolchicine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
Role
alias
Source
HERB_v2
Preferred
No
Name
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 403142
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 403142
Role
alias
Source
itcmdb_public
Preferred
No
Name
U02803H7OJ
Role
alias
Source
HERB_v2
Preferred
No
Name
U02803H7OJ
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7411-12-3COLCHICINE, N-DEACETYL-N-FORMYL-GloriosineN-Deacetyl-N-formyl ColchicineN-FormyldeacetylcolchicineN-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamideNSC 403142U02803H7OJ
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036854
Npass
NPC44642
Tcmid
309727900
Pub Chem
23890
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H23NO6/c1-25-17-8-6-13-14(10-16(17)24)15(22-11-23)7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
Mol Wt
385.4160000000001
Mol Log P
2.4815
In Ch Ikey
HDSXDWASQCHADG-HNNXBMFYSA-N
Num Hdonors
1
Drug Likeness
0.77
Num Hacceptors
6
Isomeric Smiles
COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC=O
Canonical Smiles
COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC=O
Herb Alias Names
Gloriosine7411-12-3N-FormyldeacetylcolchicineN-Deacetyl-N-formyl ColchicineN-Deacetyl-N-formylcolchicineNSC 403142N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamideCOLCHICINE, N-DEACETYL-N-FORMYL-U02803H7OJNSC403142
Molecular Formula
C21H23NO6
Num Rotatable Bonds
6