Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17859
- Core Entity Id
- 23024
- Source Entity Count
- 1
- Preferred Name
- Echitamidine
- Name En
- Pubchem Id
- 10991442
- Smiles Canonical
- CC(C1CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC)O
- Molecular Formula
- C20H24N2O3
- Molecular Weight
- 340.4230
- Inchikey
- DWLJVOJBWLYMJO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H24N2O3/c1-11(23)13-10-22-8-7-20-14-5-3-4-6-15(14)21-18(20)17(19(24)25-2)12(13)9-16(20)22/h3-6,11-13,16,21,23H,7-10H2,1-2H3
- Isomeric Smiles
- CC(C1CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 1.8818
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Echitamidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Echitamidine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Echitamidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
echitamidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
38681-90-2
Role
alias
Source
HERB_v2
Preferred
No
Name
38681-90-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Curan-17-oic acid, 2,16-didehydro-19-hydroxy-, methyl ester, (20.xi.)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Curan-17-oic acid, 2,16-didehydro-19-hydroxy-, methyl ester, (20.xi.)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 12-(1-hydroxyethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 12-(1-hydroxyethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 19-hydroxy-2,16-didehydrocuran-17-oate #
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 19-hydroxy-2,16-didehydrocuran-17-oate #
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q15410948
Role
alias
Source
HERB_v2
Preferred
No
Name
Q15410948
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
38681-90-2Curan-17-oic acid, 2,16-didehydro-19-hydroxy-, methyl ester, (20.xi.)-Methyl 12-(1-hydroxyethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylateMethyl 19-hydroxy-2,16-didehydrocuran-17-oate #Q15410948
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024814
Npass
NPC162671
Tcmid
6697
Pub Chem
10991442541842
Tcmbank
TCMBANKIN001884
Etcm Ingredient
Echitamidine
Itcmdb Generated
ITX-INGREDIENT-78D366870284
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H24N2O3/c1-11(23)13-10-22-8-7-20-14-5-3-4-6-15(14)21-18(20)17(19(24)25-2)12(13)9-16(20)22/h3-6,11-13,16,21,23H,7-10H2,1-2H3
Mol Wt
340.4230000000001
Smiles
CC(C1CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC)O
Mol Log P
1.8818
In Ch Ikey
DWLJVOJBWLYMJO-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.805
Num Hacceptors
5
Isomeric Smiles
CC(C1CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC)O
Canonical Smiles
CC(C1CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC)O
Herb Alias Names
Methyl 12-(1-hydroxyethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate38681-90-2Curan-17-oic acid, 2,16-didehydro-19-hydroxy-, methyl ester, (20.xi.)-Methyl 19-hydroxy-2,16-didehydrocuran-17-oate #Q15410948Curan-17-oic acid, 2,16-didehydro-19-hydroxy-, methyl ester, (20xi)-
Molecular Weight
340.180
Molecular Weight
340.4 g/mol
Molecular Formula
C20H24N2O3
Molecular Formula
C20H24N2O3
Molecular Formula
C20H24N2O3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.888
Quantitative Estimate Of Drug Likeness（Qed）
0.836