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
- 34245
- Core Entity Id
- 41260
- Source Entity Count
- 1
- Preferred Name
- Tagalsin e
- Name En
- Pubchem Id
- 11550979
- Smiles Canonical
- CC1(CCC2(C(C1)CCC3(C2CCC(=O)C3=C)C)C)C=C
- Molecular Formula
- C20H30O
- Molecular Weight
- 286.4590
- Inchikey
- VUBBVVYLKRSKAR-XCZFOBESSA-N
- Inchi
- InChI=1S/C20H30O/c1-6-18(3)11-12-20(5)15(13-18)9-10-19(4)14(2)16(21)7-8-17(19)20/h6,15,17H,1-2,7-13H2,3-5H3/t15-,17-,18-,19+,20-/m0/s1
- Isomeric Smiles
- C[C@@]1(CC[C@]2([C@H](C1)CC[C@]3([C@@H]2CCC(=O)C3=C)C)C)C=C
- Cas Id
- Ob Score
- Mol Logp
- 5.3205
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tagalsin E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tagalsin E
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tagalsin e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tagalsin e
Role
preferred
Source
itcmdb_public
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
HBIN045377
Npass
NPC23096
Tcmid
20588
Pub Chem
11550979
Tcmbank
TCMBANKIN046783
Etcm Ingredient
Tagalsin E
Itcmdb Generated
ITX-INGREDIENT-EB600A40DD6D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H30O/c1-6-18(3)11-12-20(5)15(13-18)9-10-19(4)14(2)16(21)7-8-17(19)20/h6,15,17H,1-2,7-13H2,3-5H3/t15-,17-,18-,19+,20-/m0/s1
Mol Wt
286.459
Mol Log P
5.320500000000005
In Ch Ikey
VUBBVVYLKRSKAR-XCZFOBESSA-N
Tcm Name
角果木
Tcm Name2
JIAO GUO MU
Mol2 Path
/TCM_database/2007_3d_all/20604.mol2
Reference
5293
Num Hdonors
0
Tcm Name En
Common Ceriops
Drug Likeness
0.471
Num Hacceptors
1
Isomeric Smiles
C[C@@]1(CC[C@]2([C@H](C1)CC[C@]3([C@@H]2CCC(=O)C3=C)C)C)C=C
Canonical Smiles
CC1(CCC2(C(C1)CCC3(C2CCC(=O)C3=C)C)C)C=C
Molecular Weight
286.230
Molecular Weight
286.5 g/mol
Molecular Formula
C20H30O
Molecular Formula
C20H30O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.754
Quantitative Estimate Of Drug Likeness（Qed）
0.471