Relationship Network
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12641
- Core Entity Id
- 17222
- Source Entity Count
- 1
- Preferred Name
- Bicyclo(3.1.0)hexan-3-ol
- Name En
- Pubchem Id
- 12724622
- Smiles Canonical
- C1C2C1CC(C2)O
- Molecular Formula
- C6H10O
- Molecular Weight
- 98.1450
- Inchikey
- YKXMZSYOSBDLMM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H10O/c7-6-2-4-1-5(4)3-6/h4-7H,1-3H2
- Isomeric Smiles
- C1C2C1CC(C2)O
- Cas Id
- Ob Score
- Mol Logp
- 0.7772
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bicyclo(3.1.0)hexan-3-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bicyclo(3.1.0)hexan-3-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
89489-26-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
89489-26-9
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS016004359
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS016004359
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bicyclo[3.1.0]hexan-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Bicyclo[3.1.0]hexan-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20508139
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20508139
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD09908095
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD09908095
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD20921684
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD20921684
Role
alias
Source
itcmdb_public
Preferred
No
Name
SB17532
Role
alias
Source
itcmdb_public
Preferred
No
Name
SB17532
Role
alias
Source
HERB_v2
Preferred
No
Name
YKXMZSYOSBDLMM-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
YKXMZSYOSBDLMM-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-3-Hydroxybicyclo[3.1.0]hexan
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-3-Hydroxybicyclo[3.1.0]hexan
Role
alias
Source
itcmdb_public
Preferred
No
Name
rel-(1R,3s,5S)-bicyclo[3.1.0]hexan-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
rel-(1R,3s,5S)-bicyclo[3.1.0]hexan-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
89489-26-9AKOS016004359Bicyclo[3.1.0]hexan-3-olDTXSID20508139MFCD09908095MFCD20921684SB17532YKXMZSYOSBDLMM-UHFFFAOYSA-Ncis-3-Hydroxybicyclo[3.1.0]hexanrel-(1R,3s,5S)-bicyclo[3.1.0]hexan-3-ol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018425
Npass
NPC128027
Tcmid
14379
Pub Chem
12724622
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C6H10O/c7-6-2-4-1-5(4)3-6/h4-7H,1-3H2
Mol Wt
98.14499999999998
Mol Log P
0.7771999999999999
In Ch Ikey
YKXMZSYOSBDLMM-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.474
Num Hacceptors
1
Isomeric Smiles
C1C2C1CC(C2)O
Canonical Smiles
C1C2C1CC(C2)O
Herb Alias Names
Bicyclo[3.1.0]hexan-3-ol89489-26-9MFCD09908095MFCD20921684rel-(1R,3s,5S)-bicyclo[3.1.0]hexan-3-olDTXSID20508139YKXMZSYOSBDLMM-UHFFFAOYSA-Ncis-3-Hydroxybicyclo[3.1.0]hexanAKOS016004359SB17532
Molecular Formula
C6H10O
Num Rotatable Bonds
0