Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20256
- Core Entity Id
- 25695
- Source Entity Count
- 1
- Preferred Name
- Glabredelphinine
- Name En
- Pubchem Id
- 73744683
- Smiles Canonical
- CCN1CC2(C=CC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)O)O)O)O)C
- Molecular Formula
- C22H33NO6
- Molecular Weight
- 407.5070
- Inchikey
- DTGBDZOZFYXFTM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H33NO6/c1-4-23-9-19(2)6-5-13(24)21-11-7-10-12(29-3)8-20(27,14(11)15(10)25)22(28,18(21)23)17(26)16(19)21/h5-6,10-18,24-28H,4,7-9H2,1-3H3
- Isomeric Smiles
- CCN1CC2(C=CC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)O)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- -0.8877
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glabredelphinine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Glabredelphinine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glabredelphinine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glabredelphinine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
展毛翠雀花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHAN MAO CUI QUE HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hair Larkspur
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
132160-37-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
132160-37-3
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
展毛翠雀花ZHAN MAO CUI QUE HUAHair Larkspur132160-37-3
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027846
Npass
NPC226148
Tcmid
25700
Pub Chem
73744683
Tcmbank
TCMBANKIN008792TCMBANKIN061234
Etcm Ingredient
Glabredelphinine
Itcmdb Generated
ITX-INGREDIENT-6671A61BBF0DITX-INGREDIENT-8C74E4ADB426
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H33NO6/c1-4-23-9-19(2)6-5-13(24)21-11-7-10-12(29-3)8-20(27,14(11)15(10)25)22(28,18(21)23)17(26)16(19)21/h5-6,10-18,24-28H,4,7-9H2,1-3H3
Mol Wt
407.5070000000001
Smiles
CCN1CC2(C=CC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)O)O)O)O)C[C@@]12([C@]([H])(N(C([H])([H])C([H])([H])[H])C3([H])[H])[C@@](O[H])([C@]4(O[H])[C@@]([H])([C@]([H])(O[H])[C@@]([H])([C@@]([H])(OC([H])([H])[H])C4([H])[H])C5([H])[H])[C@]15[H])[C@@]6([H])O[H])[C@]6([H
])[C@@]3(C([H])([H])[H])C([H])=C([H])[C@]2([H])O[H]
Mol Log P
-0.8876999999999982
In Ch Ikey
DTGBDZOZFYXFTM-UHFFFAOYSA-N
Tcm Name
展毛翠雀花
Tcm Name2
ZHAN MAO CUI QUE HUA
Mol2 Path
/TCM_database/2003_3d_all/3395.mol2
Reference
157
Num Hdonors
5
Tcm Name En
Hair Larkspur
Drug Likeness
0.378
Num Hacceptors
7
Isomeric Smiles
CCN1CC2(C=CC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)O)O)O)O)C
Canonical Smiles
CCN1CC2(C=CC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)O)O)O)O)C
Herb Alias Names
132160-37-3
Molecular Weight
407.230
Molecular Weight
407.5 g/mol
Molecular Formula
C22H33NO6
Molecular Formula
C22H33NO6
Molecular Formula
C22H33NO6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.918
Quantitative Estimate Of Drug Likeness（Qed）
0.378