Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 4Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28579
- Core Entity Id
- 34951
- Source Entity Count
- 1
- Preferred Name
- Ophiocarpine
- Name En
- Pubchem Id
- 12313750
- Smiles Canonical
- COC1=C(C2=C(C=C1)C(C3C4=CC5=C(C=C4CCN3C2)OCO5)O)OC
- Molecular Formula
- C20H21NO5
- Molecular Weight
- 355.3900
- Inchikey
- FLSSXYPKPLFNLK-RTBURBONSA-N
- Inchi
- InChI=1S/C20H21NO5/c1-23-15-4-3-12-14(20(15)24-2)9-21-6-5-11-7-16-17(26-10-25-16)8-13(11)18(21)19(12)22/h3-4,7-8,18-19,22H,5-6,9-10H2,1-2H3/t18-,19-/m1/s1
- Isomeric Smiles
- COC1=C(C2=C(C=C1)[C@H]([C@H]3C4=CC5=C(C=C4CCN3C2)OCO5)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.5789
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ophiocarpine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ophiocarpine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ophiocarpine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
华紫堇
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUA ZI JIN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Corydalis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1R,21R)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,21R)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040753381
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040753381
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM94121
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM94121
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1556795
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1556795
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS2200F19
Role
alias
Source
itcmdb_public
Preferred
No
Name
HMS2200F19
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000574944
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000574944
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3132406
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3132406
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000156297
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000156297
Role
alias
Source
itcmdb_public
Preferred
No
Name
cid_12313750
Role
alias
Source
HERB_v2
Preferred
No
Name
cid_12313750
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
华紫堇HUA ZI JINChinese Corydalis(1R,21R)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-olAKOS040753381BDBM94121CHEMBL1556795HMS2200F19MLS000574944SCHEMBL3132406SMR000156297cid_12313750
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038185
Npass
NPC2314
Tcmid
16118
Pub Chem
12313750
Tcmbank
TCMBANKIN039365
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H21NO5/c1-23-15-4-3-12-14(20(15)24-2)9-21-6-5-11-7-16-17(26-10-25-16)8-13(11)18(21)19(12)22/h3-4,7-8,18-19,22H,5-6,9-10H2,1-2H3/t18-,19-/m1/s1
Mol Wt
355.3900000000001
Mol Log P
2.578900000000001
In Ch Ikey
FLSSXYPKPLFNLK-RTBURBONSA-N
Tcm Name
华紫堇
Tcm Name2
HUA ZI JIN
Mol2 Path
/TCM_database/2007_3d_all/16128.mol2
Reference
1521, 2898
Num Hdonors
1
Tcm Name En
Chinese Corydalis
Drug Likeness
0.894
Num Hacceptors
6
Isomeric Smiles
COC1=C(C2=C(C=C1)[C@H]([C@H]3C4=CC5=C(C=C4CCN3C2)OCO5)O)OC
Canonical Smiles
COC1=C(C2=C(C=C1)C(C3C4=CC5=C(C=C4CCN3C2)OCO5)O)OC
Herb Alias Names
MLS000574944SMR000156297(1R,21R)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-olSCHEMBL3132406CHEMBL1556795BDBM94121cid_12313750HMS2200F19AKOS040753381
Molecular Weight
355.4 g/mol
Molecular Formula
C20H21NO5
Num Rotatable Bonds
2