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
- 47399
- Core Entity Id
- 90410
- Source Entity Count
- 1
- Preferred Name
- N-Formyl-N-deacetylcolchicine
- 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
- 385.1500
- 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
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 83.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-Formyl-N-deacetylcolchicine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-Formyl-N-deacetylcolchicine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN025047
Etcm Ingredient
N-Formyl-N-deacetylcolchicine
Itcmdb Generated
ITX-INGREDIENT-3919FFADEA63ITX-INGREDIENT-B795521BA899
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
草贝母
Tcm Name2
CAO BEI MU
Mol2 Path
/TCM_database/2007_3d_all/07901.mol2
Reference
6
Tcm Name En
Indian Iphigenia
Molecular Weight
385.150
Molecular Formula
C21H23NO6
Fda Maximum Daily Dose (Fdamdd)
0.944
Quantitative Estimate Of Drug Likeness（Qed）
0.770