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
- 35122
- Core Entity Id
- 42225
- Source Entity Count
- 1
- Preferred Name
- Thamnolin
- Name En
- Pubchem Id
- 5321921
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1)OC)OC)O
- Molecular Formula
- C31H56O3
- Molecular Weight
- 476.7860
- Inchikey
- DZHKOCLSGVVGIT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C31H56O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-26-29(33-2)27-30(34-3)31(28)32/h26-27,32H,4-25H2,1-3H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1)OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 10.1639
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 24
- Drug Likeness
- 0.1510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Thamnolin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Thamnolin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Thamnolin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
雪茶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XUE CHA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Vermiculate Thamnolia Thallus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
雪茶XUE CHAVermiculate Thamnolia Thallus
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046234
Npass
NPC13087
Tcmid
21256
Pub Chem
5321921
Tcmbank
TCMBANKIN041303
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C31H56O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-26-29(33-2)27-30(34-3)31(28)32/h26-27,32H,4-25H2,1-3H3
Mol Wt
476.7860000000003
Mol Log P
10.16389999999999
In Ch Ikey
DZHKOCLSGVVGIT-UHFFFAOYSA-N
Tcm Name
雪茶
Tcm Name2
XUE CHA
Mol2 Path
/TCM_database/2007_3d_all/21272.mol2
Reference
2256
Num Hdonors
1
Tcm Name En
Vermiculate Thamnolia Thallus
Drug Likeness
0.151
Num Hacceptors
3
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1)OC)OC)O
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1)OC)OC)O
Molecular Formula
C31H56O3
Num Rotatable Bonds
24