Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24228
- Core Entity Id
- 30116
- Source Entity Count
- 1
- Preferred Name
- Lasiocarpine
- Name En
- Pubchem Id
- 138112573
- Smiles Canonical
- CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O
- Molecular Formula
- C21H33NO7
- Molecular Weight
- 411.4950
- Inchikey
- QHOZSLCIKHUPSU-LPLKQDONSA-N
- Inchi
- InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16-,17+,21-/m0/s1
- Isomeric Smiles
- C/C=C(/C)\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)OC)(C(C)(C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.9588
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.3460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lasiocarpine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lasiocarpine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lasiocarpine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lasiocarpine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Lasiocarpine
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Lasiocarpine
Role
alias
Source
itcmdb_public
Preferred
No
Name
303-34-4
Role
alias
Source
HERB_v2
Preferred
No
Name
303-34-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Angelyleuropine
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Angelyleuropine
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 355
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 355
Role
alias
Source
itcmdb_public
Preferred
No
Name
Europine 7-angelate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Europine 7-angelate
Role
alias
Source
HERB_v2
Preferred
No
Name
HSDB 6062
Role
alias
Source
HERB_v2
Preferred
No
Name
HSDB 6062
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCI-C01478
Role
alias
Source
HERB_v2
Preferred
No
Name
NCI-C01478
Role
alias
Source
itcmdb_public
Preferred
No
Name
RCRA waste number U143
Role
alias
Source
itcmdb_public
Preferred
No
Name
RCRA waste number U143
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-S770100Q96
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-S770100Q96
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Lasiocarpine303-34-47-AngelyleuropineCCRIS 355Europine 7-angelateHSDB 6062NCI-C01478RCRA waste number U143UNII-S770100Q96
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032695
Tcmid
12530
Tcm Id
23143231442314523146231473062
Pub Chem
1381125735281735
Tcmbank
TCMBANKIN022761
Etcm Ingredient
Lasiocarpine
Itcmdb Generated
ITX-INGREDIENT-ABA8379891D9
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16-,17+,21-/m0/s1
Mol Wt
411.4950000000001
Smiles
CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O
Mol Log P
0.9587999999999999
In Ch Ikey
QHOZSLCIKHUPSU-LPLKQDONSA-N
Num Hdonors
2
Drug Likeness
0.346
Num Hacceptors
8
Isomeric Smiles
C/C=C(/C)\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)OC)(C(C)(C)O)O
Canonical Smiles
CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O
Herb Alias Names
7-Angelyleuropine303-34-4(-)-LasiocarpineEuropine 7-angelateNCI-C01478RCRA waste number U143CCRIS 355HSDB 6062UNII-S770100Q96
Molecular Weight
411.230
Molecular Weight
411.5 g/mol
Molecular Formula
C21H33NO7
Molecular Formula
C21H33NO7
Molecular Formula
C21H33NO7
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.629
Quantitative Estimate Of Drug Likeness（Qed）
0.346