Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 4Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39149
- Core Entity Id
- 71124
- Source Entity Count
- 1
- Preferred Name
- 19894-97-4
- Name En
- Pubchem Id
- 88301
- Smiles Canonical
- CC1(C2CC=C(C1C2)CO)C
- Molecular Formula
- C10H16O
- Molecular Weight
- 152.2370
- Inchikey
- RXBQNMWIQKOSCS-IUCAKERBSA-N
- Inchi
- InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m0/s1
- Isomeric Smiles
- CC1([C@H]2CC=C([C@@H]1C2)CO)C
- Cas Id
- 19894-97-4
- Ob Score
- 49.9790
- Mol Logp
- 1.9711
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
19894-97-4
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
19894-97-4
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
19894-97-4
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(-)-Myrtenol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R)-(-)-Myrtenol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R)-(-)-Myrtenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R)-Myrthenol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R)-Myrthenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 243-409-1
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 243-409-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-MYRTENOL
Role
alias
Source
HERB_v2
Preferred
No
Name
L-MYRTENOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00001341
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00001341
Role
alias
Source
itcmdb_public
Preferred
No
Name
Myrtenol, (-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-S1B8392IQY
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-S1B8392IQY
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Myrtenol(1R)-(-)-Myrtenol(1R)-MyrthenolEINECS 243-409-1L-MYRTENOLMFCD00001341Myrtenol, (-)-UNII-S1B8392IQY[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
Cross References
Trusted external identifiers retained for this final record.
Cas
19894-97-4
Herb
HBIN002161
Npass
NPC14426
Tcmid
3369433695
Tcmsp
MOL001121
Sym Map
SMIT03590
Pub Chem
88301
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m0/s1
Mol Wt
152.237
Cas Id
19894-97-4
Mol Log P
1.9711
Version
v1,v2
In Ch Ikey
RXBQNMWIQKOSCS-IUCAKERBSA-N
Ob Score
49.97949.97928053
Suppress
0
Num Hdonors
1
Drug Likeness
0.569
Num Hacceptors
1
Isomeric Smiles
CC1([C@H]2CC=C([C@@H]1C2)CO)C
Molecule Weight
152.26
Canonical Smiles
CC1(C2CC=C(C1C2)CO)C
Herb Alias Names
(-)-MyrtenolMyrtenol, (-)-(1R)-(-)-MyrtenolUNII-S1B8392IQY(1R)-MyrthenolL-MYRTENOLEINECS 243-409-1MFCD00001341[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
Molecular Formula
C10H16O
Num Rotatable Bonds
1