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
- 34498
- Core Entity Id
- 41540
- Source Entity Count
- 1
- Preferred Name
- Tangutimine
- Name En
- Pubchem Id
- 5321616
- Smiles Canonical
- CC12CCCC34C1CCC56C3(CC(CC5C4N=C2)C(=C)C6O)O
- Molecular Formula
- C20H27NO2
- Molecular Weight
- 313.4410
- Inchikey
- YYGZDEFJEWISCO-HDTSTAKGSA-N
- Inchi
- InChI=1S/C20H27NO2/c1-11-12-8-13-15-19-6-3-5-17(2,10-21-15)14(19)4-7-18(13,16(11)22)20(19,23)9-12/h10,12-16,22-23H,1,3-9H2,2H3/t12?,13?,14?,15?,16-,17+,18?,19?,20+/m1/s1
- Isomeric Smiles
- C[C@@]12CCCC34C1CCC56[C@]3(CC(CC5C4N=C2)C(=C)[C@H]6O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7140
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tangutimine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tangutimine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tangutimine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
甘青乌头
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GAN QING WU TOU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tangut Monkshood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
甘青乌头GAN QING WU TOUTangut Monkshood
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045482
Npass
NPC126449
Tcmid
20660
Pub Chem
5321616
Tcmbank
TCMBANKIN046750
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H27NO2/c1-11-12-8-13-15-19-6-3-5-17(2,10-21-15)14(19)4-7-18(13,16(11)22)20(19,23)9-12/h10,12-16,22-23H,1,3-9H2,2H3/t12?,13?,14?,15?,16-,17+,18?,19?,20+/m1/s1
Mol Wt
313.441
Mol Log P
2.714000000000002
In Ch Ikey
YYGZDEFJEWISCO-HDTSTAKGSA-N
Tcm Name
甘青乌头
Tcm Name2
GAN QING WU TOU
Mol2 Path
/TCM_database/2007_3d_all/20676.mol2
Reference
2203
Num Hdonors
2
Tcm Name En
Tangut Monkshood
Drug Likeness
0.676
Num Hacceptors
3
Isomeric Smiles
C[C@@]12CCCC34C1CCC56[C@]3(CC(CC5C4N=C2)C(=C)[C@H]6O)O
Canonical Smiles
CC12CCCC34C1CCC56C3(CC(CC5C4N=C2)C(=C)C6O)O
Molecular Formula
C20H27NO2
Num Rotatable Bonds
0