Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31163
- Core Entity Id
- 37824
- Source Entity Count
- 1
- Preferred Name
- Pyrethrinⅰ
- Name En
- Pubchem Id
- 11442
- Smiles Canonical
- CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C
- Molecular Formula
- C19H26O3
- Molecular Weight
- 302.4140
- Inchikey
- ZCVAOQKBXKSDMS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3
- Isomeric Smiles
- CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C
- Cas Id
- Ob Score
- Mol Logp
- 4.0020
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pyrethrinⅰ
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pyrethrinⅰ
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
pyrethrinⅠ
Role
preferred
Source
TCMBank
Preferred
Yes
Name
584-79-2
Role
alias
Source
HERB_v2
Preferred
No
Name
584-79-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
84030-86-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
84030-86-4
Role
alias
Source
HERB_v2
Preferred
No
Name
ALLETHRIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
ALLETHRIN
Role
alias
Source
HERB_v2
Preferred
No
Name
Allethrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Allethrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Allethrins
Role
alias
Source
itcmdb_public
Preferred
No
Name
Allethrins
Role
alias
Source
HERB_v2
Preferred
No
Name
D-trans Allethrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-trans Allethrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Esbiothrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Esbiothrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pynamin
Role
alias
Source
HERB_v2
Preferred
No
Name
Pynamin
Role
alias
Source
itcmdb_public
Preferred
No
Name
d-cis,trans-Allethrin
Role
alias
Source
HERB_v2
Preferred
No
Name
d-cis,trans-Allethrin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
584-79-284030-86-4ALLETHRINAllethrineAllethrinsD-trans AllethrinEsbiothrinPynamind-cis,trans-Allethrin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041377
Npass
NPC253749
Tcmid
34534
Pub Chem
11442
Tcmbank
TCMBANKIN027047
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3
Mol Wt
302.4140000000001
Smiles
CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C
Mol Log P
4.002000000000003
In Ch Ikey
ZCVAOQKBXKSDMS-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.569
Num Hacceptors
3
Isomeric Smiles
CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C
Canonical Smiles
CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C
Herb Alias Names
ALLETHRIN584-79-2PynaminEsbiothrinAllethrins84030-86-4D-trans Allethrind-cis,trans-AllethrinAllethrined-cis-trans-Allethrin
Molecular Formula
C19H26O3
Molecular Formula
C19H26O3
Num Rotatable Bonds
5