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Molecule Identifiers
Molecular Properties

ID: 132175

SMILES:
C1CC(C)=CC1c1c(O)cc(CCCCC)cc1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -12.662

InChIKey:
DFVJZNILNLXYRV-UHFFFAOYSA-N

ID: 132176

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 132177

SMILES:
C(C)(C)C1CC2C(C)=CC1c1c(O)c(OC)cc(CCCCC)c1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 356.506

CB1 binding score: -15.84

InChIKey:
CTFHMLXOYUWPGH-UHFFFAOYSA-N

ID: 132178

SMILES:
C(N1C2C(C(OC)C1C(C)C)Oc1cc(CCCCC)cc(O)c12)CCCc1ccc(F)cc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 469.641

CB1 binding score: -14.116

InChIKey:
DFYLRRPPYKSUQL-UHFFFAOYSA-N

ID: 132179

SMILES:
CC1(C)C2C=CC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -20.121

InChIKey:
PJBASZVNRDGSFZ-UHFFFAOYSA-N

ID: 132180

SMILES:
C(C1C(O)c2c(O)cc(CCCCC)cc2OC(CO)(C)C1)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.417

CB1 binding score: -14.489

InChIKey:
ALVNBURYGQZHOQ-UHFFFAOYSA-N

ID: 132181

SMILES:
C12C(CC(=O)C(C)=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 132182

SMILES:
c1c(C2C(C)=C(C)C(C)(C)C2)cc(O)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -12.838

InChIKey:
AFTYWFYEOIAZBS-UHFFFAOYSA-N

ID: 132183

SMILES:
C1C(=O)OC(C)C1(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -16.04

InChIKey:
YFVHOIBGPUOONR-UHFFFAOYSA-N

ID: 132184

SMILES:
C(OC)(=O)CC1C(C)(C)C(=O)C(O)(C)C1CCC1(C)CCc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.638

CB1 binding score: -13.472

InChIKey:
XFVGINLDPIMBMK-UHFFFAOYSA-N

ID: 132185

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(=C)CCC3C(C)(C)C3C=C(C)C1O)C(=O)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -15.775

InChIKey:
MXIIZQSXPNONGZ-UHFFFAOYSA-N

ID: 132186

SMILES:
CC(C1C(c2ccccc2O)C=C(C)CC1)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 132187

SMILES:
C1CC(C(C)(OC(C)=O)C)CC1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -14.913

InChIKey:
VNHDIDFHFZWRKA-UHFFFAOYSA-N

ID: 132188

SMILES:
C1CC(C(C)=C)C(OC(C)=O)C=C1Cc1c(OC)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.805

InChIKey:
ZTDSLAFLKYDEDP-UHFFFAOYSA-N

ID: 132189

SMILES:
c12c(cc(O)c(C=O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -17.621

InChIKey:
ZAHOXGPXIYQXDR-UHFFFAOYSA-N

ID: 132190

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)CC1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.306

InChIKey:
SCWSGMRHTABSRY-UHFFFAOYSA-N

ID: 132191

SMILES:
c12ccc(CCC=C(C)C)cc1OC(C)(C)C1Cc3c(C)ccc(C)c3C21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.541

CB1 binding score: -16.364

InChIKey:
ALHMARIXPGIZBN-UHFFFAOYSA-N

ID: 132192

SMILES:
c1(O)cc(CCCCC)cc2c1C1OC(=O)C(C)=C1CC=C(C)CCC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -15.304

InChIKey:
BKWHHPUVPGNNNO-UHFFFAOYSA-N

ID: 132193

SMILES:
c1c(CCCCC)cc2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -17.649

InChIKey:
CBFJCKSFJPWQQA-UHFFFAOYSA-N

ID: 132194

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)oc3C(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -14.005

InChIKey:
QEYSRXRHHNJVGP-UHFFFAOYSA-N

ID: 132195

SMILES:
COc1cc(OC)c(C2C(C(C)=C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.313

InChIKey:
UELGOYJTHIBECC-UHFFFAOYSA-N

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132175–132195 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties