Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 4Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8534
- Core Entity Id
- 12655
- Source Entity Count
- 1
- Preferred Name
- 7-octen-4-ol
- Name En
- Pubchem Id
- 40923
- Smiles Canonical
- CCCC(CCC=C)O
- Molecular Formula
- C8H16O
- Molecular Weight
- 128.2150
- Inchikey
- MJWKMORBWQZWOT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3,8-9H,1,4-7H2,2H3
- Isomeric Smiles
- CCCC(CCC=C)O
- Cas Id
- 35628-05-8
- Ob Score
- 31.4608
- Mol Logp
- 2.1136
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Octen-4-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-Octen-4-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-octen-4-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-octen-4-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-octen-4-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-Octene-5-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Octene-5-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
53907-72-5
Role
alias
Source
TCMBank
Preferred
No
Name
53907-72-5
Role
alias
Source
HERB_v2
Preferred
No
Name
53907-72-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-OCTEN-4-OL
Role
alias
Source
TCMBank
Preferred
No
Name
87830-31-7
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L24QG
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS011019332
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS011019332
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS011019332
Role
alias
Source
itcmdb_public
Preferred
No
Name
AS-56355
Role
alias
Source
itcmdb_public
Preferred
No
Name
AS-56355
Role
alias
Source
HERB_v2
Preferred
No
Name
CTK8J1312
Role
alias
Source
TCMBank
Preferred
No
Name
DB-312272
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-312272
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID901396265
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID901396265
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40968695
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40968695
Role
alias
Source
itcmdb_public
Preferred
No
Name
MJWKMORBWQZWOT-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2474318
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2474318
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2474318
Role
alias
Source
itcmdb_public
Preferred
No
Name
oct-7-en-4-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
oct-7-en-4-ol
Role
alias
Source
TCMBank
Preferred
No
Name
oct-7-en-4-ol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Octene-5-ol53907-72-587830-31-7AC1L24QGAKOS011019332AS-56355CTK8J1312DB-312272DTXCID901396265DTXSID40968695MJWKMORBWQZWOT-UHFFFAOYSA-NSCHEMBL2474318oct-7-en-4-ol
Cross References
Trusted external identifiers retained for this final record.
Cas
35628-05-8
Herb
HBIN013391
Npass
NPC112196
Tcmid
15974
Tcmsp
MOL004616MOL011756
Sym Map
SMIT06505SMIT16974
Tcm Id
214357428
Pub Chem
40923
Tcmbank
TCMBANKIN008219
Etcm Ingredient
7-octen-4-ol
Itcmdb Generated
ITX-INGREDIENT-1D510A6C30F5
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3,8-9H,1,4-7H2,2H3
Mol Wt
128.215
Cas Id
35628-05-8
Smiles
CCCC(CCC=C)O
Mol Log P
2.1136
Version
v1,v2
In Ch Ikey
MJWKMORBWQZWOT-UHFFFAOYSA-N
Ob Score
31.46081731.4608172531.461
Suppress
1
Num Hdonors
1
Drug Likeness
0.562
Num Hacceptors
1
Isomeric Smiles
CCCC(CCC=C)O
Molecule Weight
128.24
Canonical Smiles
CCCC(CCC=C)O
Herb Alias Names
oct-7-en-4-ol53907-72-5DTXSID409686951-Octene-5-olSCHEMBL2474318DTXCID901396265AKOS011019332AS-56355DB-312272
Molecular Weight
128.120
Molecular Weight
154.25
Molecular Formula
C8H16O
Molecular Formula
C10H18O
Molecular Formula
C8H16O
Num Rotatable Bonds
5
Link Ingredient Id
6505.0
Fda Maximum Daily Dose (Fdamdd)
0.240
Quantitative Estimate Of Drug Likeness（Qed）
0.562