IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
9H-Fluoren-2-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016241
Phytochemical name:
9H-Fluoren-2-ol
Synonymous chemical names:
2-hydroxyfluorene
External chemical identifiers:
CID:75547
,
ChEMBL:CHEMBL3182722
,
ChEBI:34289
,
ZINC:ZINC000001628334
,
FDASRS:C7588WEA3R
,
SureChEMBL:SCHEMBL217399
,
MolPort-003-929-560
Chemical structure information
SMILES:
Oc1ccc2-c3c(Cc2c1)cccc3
InChI:
InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2
InChIKey:
ZDOIAPGLORMKTR-UHFFFAOYSA-N
DeepSMILES:
Occcc-ccCc5c9)))cccc6
Functional groups:
cO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)Cc1ccccc1-2
Scaffold Graph/Node level:
C1CCC2C(C1)CC1CCCCC12
Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Benzenoids
ClassyFire Class:
Fluorenes
NP Classifier Biosynthetic pathway:
Polyketides
NP Classifier Superclass:
Polycyclic aromatic polyketides
NP Classifier Class:
Anthraquinones and anthrones
NP-Likeness score:
0.386
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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