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
- 34396
- Core Entity Id
- 41429
- Source Entity Count
- 1
- Preferred Name
- Tagalsin c
- Name En
- Pubchem Id
- 11551189
- Smiles Canonical
- CC1(CCC2(C(C1)CCC3(C2C=C(C(=O)C3=C)O)C)C)C=C
- Molecular Formula
- C20H28O2
- Molecular Weight
- 300.4420
- Inchikey
- DGDGISHVMVMEBQ-IHXHSXLNSA-N
- Inchi
- InChI=1S/C20H28O2/c1-6-18(3)9-10-20(5)14(12-18)7-8-19(4)13(2)17(22)15(21)11-16(19)20/h6,11,14,16,21H,1-2,7-10,12H2,3-5H3/t14-,16-,18-,19+,20-/m0/s1
- Isomeric Smiles
- C[C@@]1(CC[C@]2([C@H](C1)CC[C@]3([C@@H]2C=C(C(=O)C3=C)O)C)C)C=C
- Cas Id
- Ob Score
- Mol Logp
- 4.9822
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tagalsin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tagalsin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tagalsin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tagalsin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
角果木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIAO GUO MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Ceriops
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
角果木JIAO GUO MUCommon Ceriops
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045375
Tcmid
20586
Pub Chem
11551189
Tcmbank
TCMBANKIN047488
Etcm Ingredient
Tagalsin C
Itcmdb Generated
ITX-INGREDIENT-03476B5D1459
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O2/c1-6-18(3)9-10-20(5)14(12-18)7-8-19(4)13(2)17(22)15(21)11-16(19)20/h6,11,14,16,21H,1-2,7-10,12H2,3-5H3/t14-,16-,18-,19+,20-/m0/s1
Mol Wt
300.4420000000001
Mol Log P
4.982200000000004
In Ch Ikey
DGDGISHVMVMEBQ-IHXHSXLNSA-N
Tcm Name
角果木
Tcm Name2
JIAO GUO MU
Mol2 Path
/TCM_database/2007_3d_all/20602.mol2
Reference
5293
Num Hdonors
1
Tcm Name En
Common Ceriops
Drug Likeness
0.547
Num Hacceptors
2
Isomeric Smiles
C[C@@]1(CC[C@]2([C@H](C1)CC[C@]3([C@@H]2C=C(C(=O)C3=C)O)C)C)C=C
Canonical Smiles
CC1(CCC2(C(C1)CCC3(C2C=C(C(=O)C3=C)O)C)C)C=C
Molecular Weight
300.210
Molecular Weight
300.4 g/mol
Molecular Formula
C20H28O2
Molecular Formula
C20H28O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.638
Quantitative Estimate Of Drug Likeness（Qed）
0.528