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
- 18325
- Core Entity Id
- 23547
- Source Entity Count
- 1
- Preferred Name
- Epoxyeleganolactone
- Name En
- Pubchem Id
- 21773569
- Smiles Canonical
- CC(=CC(CC(=CCCC(=CCCC1C2C(O2)OC1=O)C)C)O)C
- Molecular Formula
- C20H30O4
- Molecular Weight
- 334.4560
- Inchikey
- MWCBIZFZQBYZJE-SPOQGDDGSA-N
- Inchi
- InChI=1S/C20H30O4/c1-13(2)11-16(21)12-15(4)9-5-7-14(3)8-6-10-17-18-20(23-18)24-19(17)22/h8-9,11,16-18,20-21H,5-7,10,12H2,1-4H3/b14-8+,15-9+/t16-,17?,18?,20?/m1/s1
- Isomeric Smiles
- CC(=C[C@H](C/C(=C/CC/C(=C/CCC1C2C(O2)OC1=O)/C)/C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0545
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.3920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Epoxyeleganolactone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Epoxyeleganolactone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Epoxyeleganolactone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
双叉藻
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHUANG CHA ZAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Brown Alga Bifurcaria bifurcata
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
双叉藻SHUANG CHA ZAOBrown Alga Bifurcaria bifurcata
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025451
Npass
NPC152314
Tcmid
7085
Pub Chem
21773569
Tcmbank
TCMBANKIN041438
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H30O4/c1-13(2)11-16(21)12-15(4)9-5-7-14(3)8-6-10-17-18-20(23-18)24-19(17)22/h8-9,11,16-18,20-21H,5-7,10,12H2,1-4H3/b14-8+,15-9+/t16-,17?,18?,20?/m1/s1
Mol Wt
334.4560000000001
Mol Log P
4.054500000000004
In Ch Ikey
MWCBIZFZQBYZJE-SPOQGDDGSA-N
Tcm Name
双叉藻
Tcm Name2
SHUANG CHA ZAO
Mol2 Path
/TCM_database/2007_3d_all/07086.mol2
Reference
2405
Num Hdonors
1
Tcm Name En
Brown Alga Bifurcaria bifurcata
Drug Likeness
0.392
Num Hacceptors
4
Isomeric Smiles
CC(=C[C@H](C/C(=C/CC/C(=C/CCC1C2C(O2)OC1=O)/C)/C)O)C
Canonical Smiles
CC(=CC(CC(=CCCC(=CCCC1C2C(O2)OC1=O)C)C)O)C
Molecular Weight
334.4 g/mol
Molecular Formula
C20H30O4
Num Rotatable Bonds
9