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
- 28841
- Core Entity Id
- 35245
- Source Entity Count
- 1
- Preferred Name
- Oxyprotostemonine
- Name En
- Pubchem Id
- 101259887
- Smiles Canonical
- CC1CC(OC1=O)C2CC3C4N2CCCC5(C4C(C(=C6C(=C(C(=O)O6)C)OC)O5)C)O3
- Molecular Formula
- C23H29NO7
- Molecular Weight
- 431.4850
- Inchikey
- VWLSPPQJJDUUFR-IFNKLDMSSA-N
- Inchi
- InChI=1S/C23H29NO7/c1-10-8-14(28-21(10)25)13-9-15-17-16-11(2)19(20-18(27-4)12(3)22(26)29-20)31-23(16,30-15)6-5-7-24(13)17/h10-11,13-17H,5-9H2,1-4H3/b20-19-/t10-,11-,13-,14-,15+,16+,17-,23-/m0/s1
- Isomeric Smiles
- C[C@H]1C[C@H](OC1=O)[C@@H]2C[C@@H]3[C@@H]4N2CCC[C@]5([C@@H]4[C@@H](/C(=C/6\C(=C(C(=O)O6)C)OC)/O5)C)O3
- Cas Id
- Ob Score
- Mol Logp
- 2.2411
- Num H Donors
- 0
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Oxyprotostemonine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Oxyprotostemonine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Oxyprotostemonine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
oxyprotostemonine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
百部属植物
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Stemona curtisii
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
百部属植物Stemona curtisii
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038511
Tcmid
16459
Pub Chem
101259887
Tcmbank
TCMBANKIN037521
Etcm Ingredient
oxyprotostemonine
Itcmdb Generated
ITX-INGREDIENT-8E23DD4F29AD
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H29NO7/c1-10-8-14(28-21(10)25)13-9-15-17-16-11(2)19(20-18(27-4)12(3)22(26)29-20)31-23(16,30-15)6-5-7-24(13)17/h10-11,13-17H,5-9H2,1-4H3/b20-19-/t10-,11-,13-,14-,15+,16+,17-,23-/m0/s1
Mol Wt
431.4850000000003
Mol Log P
2.241099999999999
In Ch Ikey
VWLSPPQJJDUUFR-IFNKLDMSSA-N
Tcm Name
百部属植物
Tcm Name2
Stemona curtisii
Mol2 Path
/TCM_database/2007_3d_all/16470.mol2
Reference
3409
Num Hdonors
0
Drug Likeness
0.616
Num Hacceptors
8
Isomeric Smiles
C[C@H]1C[C@H](OC1=O)[C@@H]2C[C@@H]3[C@@H]4N2CCC[C@]5([C@@H]4[C@@H](/C(=C/6\C(=C(C(=O)O6)C)OC)/O5)C)O3
Canonical Smiles
CC1CC(OC1=O)C2CC3C4N2CCCC5(C4C(C(=C6C(=C(C(=O)O6)C)OC)O5)C)O3
Molecular Weight
431.190
Molecular Weight
431.5 g/mol
Molecular Formula
C23H29NO7
Molecular Formula
C23H29NO7
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.125
Quantitative Estimate Of Drug Likeness（Qed）
0.731