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IMPPAT Phytochemical information:
p-Mentha-1(7),8(10)-dien-9-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015900
Phytochemical name:
p-Mentha-1(7),8(10)-dien-9-ol
Synonymous chemical names:
p -mentha-1(7), 8(10)-dien-9-ol, p-mentha-1(7),8(10)-dien-9-ol
External chemical identifiers:
CID:34627
,
ZINC:ZINC000002011501
,
SureChEMBL:SCHEMBL15319201
Chemical structure information
SMILES:
OCC(=C)C1CCC(=C)CC1
InChI:
InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h10-11H,1-7H2
InChIKey:
SDDQNZKSVASSFO-UHFFFAOYSA-N
DeepSMILES:
OCC=C)CCCC=C)CC6
Functional groups:
C=C(C)C, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CCCCC1
Scaffold Graph/Node level:
CC1CCCCC1
Scaffold Graph level:
CC1CCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Monoterpenoids
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Monoterpenoids
NP Classifier Class:
Monocyclic monoterpenoids
NP-Likeness score:
2.405
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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