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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39451
- Core Entity Id
- 73723
- Source Entity Count
- 1
- Preferred Name
- 1-epidechloroacutumine
- Name En
- Pubchem Id
- 10915450
- Smiles Canonical
- CN1CCC23C1(CCC24C(C(=CC4=O)OC)O)C(=C(C(=O)C3)OC)OC
- Molecular Formula
- C19H25NO6
- Molecular Weight
- 363.4100
- Inchikey
- BUBCJFLNVLBOBA-GDAAHCPNSA-N
- Inchi
- InChI=1S/C19H25NO6/c1-20-8-7-17-10-11(21)14(25-3)16(26-4)19(17,20)6-5-18(17)13(22)9-12(24-2)15(18)23/h9,15,23H,5-8,10H2,1-4H3/t15-,17-,18+,19+/m0/s1
- Isomeric Smiles
- CN1CC[C@@]23[C@@]1(CC[C@@]24[C@H](C(=CC4=O)OC)O)C(=C(C(=O)C3)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 0.7784
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7930
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Epidechloroacutumine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-Epidechloroacutumine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-epidechloroacutumine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-epidechloroacutumine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-epidechloroacutumine;dechlorodauricumine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
蝙蝠葛
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BIAN FU GE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Asiatic Moonseed
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Dechlorodauricumine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
蝙蝠葛根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BIAN FU GE GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Asiatic Moonseed Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-epidechloroacutumine;dechlorodauricumine蝙蝠葛BIAN FU GEAsiatic MoonseedDechlorodauricumine蝙蝠葛根BIAN FU GE GENAsiatic Moonseed Root
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002511HBIN022917
Npass
NPC184638NPC198481
Tcmid
68854846
Pub Chem
10915450101211584
Tcmbank
TCMBANKIN029157TCMBANKIN061368TCMBANKIN036010
Etcm Ingredient
1-EpidechloroacutumineDechlorodauricumine
Itcmdb Generated
ITX-INGREDIENT-E14CF26FE046ITX-INGREDIENT-F52222692D63ITX-INGREDIENT-02D334CD5ED5ITX-INGREDIENT-F24385A253C7
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H25NO6/c1-20-8-7-17-10-11(21)14(25-3)16(26-4)19(17,20)6-5-18(17)13(22)9-12(24-2)15(18)23/h9,15,23H,5-8,10H2,1-4H3/t15-,17-,18+,19+/m0/s1
Mol Wt
363.4100000000002
Smiles
CN1CCC23C1(CCC24C(C(=CC4=O)OC)O)C(=C(C(=O)C3)OC)OC
Mol Log P
0.7784
In Ch Ikey
BUBCJFLNVLBOBA-GDAAHCPNSA-N
Tcm Name
蝙蝠葛
Tcm Name2
BIAN FU GE
Mol2 Path
/TCM_database/2007_3d_all/06886.mol2
Reference
1946
Num Hdonors
1
Tcm Name En
Asiatic Moonseed
Drug Likeness
0.793
Num Hacceptors
7
Isomeric Smiles
CN1CC[C@@]23[C@@]1(CC[C@@]24[C@H](C(=CC4=O)OC)O)C(=C(C(=O)C3)OC)OC
Canonical Smiles
CN1CCC23C1(CCC24C(C(=CC4=O)OC)O)C(=C(C(=O)C3)OC)OC
Molecular Weight
363.170
Molecular Weight
363.4 g/mol
Molecular Formula
C19H25NO6
Molecular Formula
C19H25NO6
Molecular Formula
C19H25NO6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.431
Quantitative Estimate Of Drug Likeness（Qed）
0.688