Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16552
- Core Entity Id
- 21566
- Source Entity Count
- 1
- Preferred Name
- Delphicrispuline
- Name En
- Pubchem Id
- 100959353
- Smiles Canonical
- CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC)OC)O)OC)OC(=O)C7=CC=CC=C7N
- Molecular Formula
- C30H42N2O6
- Molecular Weight
- 526.6740
- Inchikey
- VNBIFAPROMMMBX-ODDZBGBGSA-N
- Inchi
- InChI=1S/C30H42N2O6/c1-5-32-15-28(38-27(33)16-8-6-7-9-20(16)31)11-10-23(36-3)30-18-12-17-21(35-2)14-29(34,24(18)25(17)37-4)19(26(30)32)13-22(28)30/h6-9,17-19,21-26,34H,5,10-15,31H2,1-4H3/t17-,18-,19+,21+,22-,23+,24-,25+,26-,28-,29+,30-/m1/s1
- Isomeric Smiles
- CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)OC)OC(=O)C7=CC=CC=C7N
- Cas Id
- Ob Score
- Mol Logp
- 2.7305
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Delphicrispuline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Delphicrispuline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Delphicrispuline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Delphicrispuline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
土耳其翠雀花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TU ER QI CUI QUE HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Turkish Larkspur*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
土耳其翠雀花TU ER QI CUI QUE HUATurkish Larkspur*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023129
Npass
NPC116734
Tcmid
5008
Pub Chem
100959353
Tcmbank
TCMBANKIN047086
Etcm Ingredient
Delphicrispuline
Itcmdb Generated
ITX-INGREDIENT-DC15A5A49696
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H42N2O6/c1-5-32-15-28(38-27(33)16-8-6-7-9-20(16)31)11-10-23(36-3)30-18-12-17-21(35-2)14-29(34,24(18)25(17)37-4)19(26(30)32)13-22(28)30/h6-9,17-19,21-26,34H,5,10-15,31H2,1-4H3/t17-,18-,19+,21+,22-,23+,24-,25+,26-,28-,29+,30-/m1/s1
Mol Wt
526.6740000000002
Mol Log P
2.730499999999999
In Ch Ikey
VNBIFAPROMMMBX-ODDZBGBGSA-N
Tcm Name
土耳其翠雀花
Tcm Name2
TU ER QI CUI QUE HUA
Mol2 Path
/TCM_database/2007_3d_all/05009.mol2
Reference
1913, 2690
Num Hdonors
2
Tcm Name En
Turkish Larkspur*
Drug Likeness
0.431
Num Hacceptors
8
Isomeric Smiles
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)OC)OC(=O)C7=CC=CC=C7N
Canonical Smiles
CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC)OC)O)OC)OC(=O)C7=CC=CC=C7N
Molecular Weight
540.320
Molecular Weight
526.7 g/mol
Molecular Formula
C31H44N2O6
Molecular Formula
C30H42N2O6
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.119
Quantitative Estimate Of Drug Likeness（Qed）
0.383