Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14607
- Core Entity Id
- 19401
- Source Entity Count
- 1
- Preferred Name
- Cis-2-pentenol
- Name En
- Pubchem Id
- 5364919
- Smiles Canonical
- CCC=CCO
- Molecular Formula
- C5H10O
- Molecular Weight
- 86.1340
- Inchikey
- BTSIZIIPFNVMHF-ARJAWSKDSA-N
- Inchi
- InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-
- Isomeric Smiles
- CC/C=C\CO
- Cas Id
- 1576-95-0
- Ob Score
- 66.4049
- Mol Logp
- 0.9449
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
CIS-2-PENTENOL
Role
preferred
Source
TCMBank
Preferred
Yes
Name
CIS-2-PENTENOL
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cis-2-Pentenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cis-2-pentenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cis-2-pentenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2Z)-2-Penten-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2Z)-2-Penten-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-2-Penten-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-2-Penten-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-Pent-2-en-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-Pent-2-en-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
1576-95-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
1576-95-0
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Penten-1-ol, (2Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Penten-1-ol, (2Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Penten-1-ol, (Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Penten-1-ol, (Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-2-Penten-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-2-Penten-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-Pent-2-en-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-Pent-2-en-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-Pent-2-ene-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-Pent-2-ene-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-Pent-2-En-1-Ol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(E)-Pent-2-en-1-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(e)-pent-2-en-1-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2E)-2-Penten-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-2-pentenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1576-96-1
Role
alias
Source
HERB_v2
Preferred
No
Name
2-PENTEN-1-OL
Role
alias
Source
TCMBank
Preferred
No
Name
2-Penten-1-ol, (2E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Penten-1-ol, (E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
20273-24-9
Role
alias
Source
HERB_v2
Preferred
No
Name
424447_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 216-416-2
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC06661425
Role
alias
Source
TCMBank
Preferred
No
Name
pent-2-en-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
trans-2-Penten-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-2-pentenol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2Z)-2-Penten-1-ol(Z)-2-Penten-1-ol(Z)-Pent-2-en-1-ol1576-95-02-Penten-1-ol, (2Z)-2-Penten-1-ol, (Z)-cis-2-Penten-1-olcis-Pent-2-en-1-olcis-Pent-2-ene-1-ol(E)-Pent-2-En-1-Ol(2E)-2-Penten-1-ol(E)-2-pentenol1576-96-12-PENTEN-1-OL2-Penten-1-ol, (2E)-2-Penten-1-ol, (E)-20273-24-9424447_ALDRICHEINECS 216-416-2ZINC06661425pent-2-en-1-oltrans-2-Penten-1-oltrans-2-pentenol
Cross References
Trusted external identifiers retained for this final record.
Cas
1576-95-01576-96-1
Herb
HBIN020755HBIN020756HBIN025225
Npass
NPC250734NPC119049
Tcmid
36528
Tcmsp
MOL003081MOL008166
Sym Map
SMIT05215SMIT09487
Pub Chem
53649195364920
Tcmbank
TCMBANKIN060720TCMBANKIN000399
Etcm Ingredient
CIS-2-PENTENOL
Itcmdb Generated
ITX-INGREDIENT-28921942C334
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-
Mol Wt
86.134
Cas Id
1576-95-0
Smiles
CCC=CCO
Mol Log P
0.9448999999999999
Version
v1,v2
In Ch Ikey
BTSIZIIPFNVMHF-ARJAWSKDSA-N
Ob Score
66.4048805866.40488166.405
Suppress
0
Num Hdonors
1
Drug Likeness
0.496
Num Hacceptors
1
Isomeric Smiles
CC/C=C\CO
Molecule Weight
86.15
Canonical Smiles
CCC=CCO
Herb Alias Names
cis-2-Penten-1-ol1576-95-0(Z)-Pent-2-en-1-ol(Z)-2-Penten-1-ol2-Penten-1-ol, (2Z)-2-Penten-1-ol, (Z)-cis-Pent-2-ene-1-ol(2Z)-2-Penten-1-olcis-Pent-2-en-1-ol
Molecular Weight
86.070
Molecular Weight
86.13g/mol
Molecular Formula
C5H10O
Molecular Formula
C5H10O
Molecular Formula
C5H10O
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.496