Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28171
- Core Entity Id
- 34497
- Source Entity Count
- 1
- Preferred Name
- Ochotensimine
- Name En
- Pubchem Id
- 13892208
- Smiles Canonical
- CN1CCC2=CC(=C(C=C2C13CC4=C(C3=C)C=CC5=C4OCO5)OC)OC
- Molecular Formula
- C22H23NO4
- Molecular Weight
- 365.4290
- Inchikey
- JRHBRSNGMLYULO-QFIPXVFZSA-N
- Inchi
- InChI=1S/C22H23NO4/c1-13-15-5-6-18-21(27-12-26-18)16(15)11-22(13)17-10-20(25-4)19(24-3)9-14(17)7-8-23(22)2/h5-6,9-10H,1,7-8,11-12H2,2-4H3/t22-/m0/s1
- Isomeric Smiles
- CN1CCC2=CC(=C(C=C2[C@@]13CC4=C(C3=C)C=CC5=C4OCO5)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.3852
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ochotensimine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ochotensimine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ochotensimine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
小黄紫堇
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIAO HUANG ZI JIN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Small Ochotsk Corydalis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
小黄紫堇XIAO HUANG ZI JINSmall Ochotsk Corydalis
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037691
Npass
NPC166261
Tcmid
15907
Pub Chem
13892208
Tcmbank
TCMBANKIN039988
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H23NO4/c1-13-15-5-6-18-21(27-12-26-18)16(15)11-22(13)17-10-20(25-4)19(24-3)9-14(17)7-8-23(22)2/h5-6,9-10H,1,7-8,11-12H2,2-4H3/t22-/m0/s1
Mol Wt
365.4290000000001
Mol Log P
3.385200000000002
In Ch Ikey
JRHBRSNGMLYULO-QFIPXVFZSA-N
Tcm Name
小黄紫堇
Tcm Name2
XIAO HUANG ZI JIN
Mol2 Path
/TCM_database/2007_3d_all/15917.mol2
Reference
1521, 2920
Num Hdonors
0
Tcm Name En
Small Ochotsk Corydalis
Drug Likeness
0.816
Num Hacceptors
5
Isomeric Smiles
CN1CCC2=CC(=C(C=C2[C@@]13CC4=C(C3=C)C=CC5=C4OCO5)OC)OC
Canonical Smiles
CN1CCC2=CC(=C(C=C2C13CC4=C(C3=C)C=CC5=C4OCO5)OC)OC
Molecular Weight
365.4 g/mol
Molecular Formula
C22H23NO4
Num Rotatable Bonds
2