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
- 1858
- Core Entity Id
- 5253
- Source Entity Count
- 1
- Preferred Name
- 2-ethyl-3-vinyl oxirane
- Name En
- Pubchem Id
- 534767
- Smiles Canonical
- CCC1C(O1)C=C
- Molecular Formula
- C6H10O
- Molecular Weight
- 98.1450
- Inchikey
- AMXASLDHSQRSDI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H10O/c1-3-5-6(4-2)7-5/h3,5-6H,1,4H2,2H3
- Isomeric Smiles
- CCC1C(O1)C=C
- Cas Id
- Ob Score
- Mol Logp
- 1.3498
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-ethyl-3-vinyl oxirane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-ethyl-3-vinyl oxirane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-ethyl-3-vinyl oxirane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-Ethyl-3-vinyloxirane
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Ethyl-3-vinyloxirane
Role
alias
Source
HERB_v2
Preferred
No
Name
AMXASLDHSQRSDI-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
AMXASLDHSQRSDI-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Ethyl-3-vinyloxiraneAMXASLDHSQRSDI-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005610
Tcmid
37773
Pub Chem
534767
Tcmbank
TCMBANKIN014356
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C6H10O/c1-3-5-6(4-2)7-5/h3,5-6H,1,4H2,2H3
Mol Wt
98.145
Smiles
CCC1C(O1)C=C
Mol Log P
1.3498
In Ch Ikey
AMXASLDHSQRSDI-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.375
Num Hacceptors
1
Isomeric Smiles
CCC1C(O1)C=C
Canonical Smiles
CCC1C(O1)C=C
Herb Alias Names
2-Ethyl-3-vinyloxiraneAMXASLDHSQRSDI-UHFFFAOYSA-N
Molecular Weight
98.14 g/mol
Molecular Formula
C6H10O
Molecular Formula
C6H10O
Num Rotatable Bonds
2