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Molecule Identifiers
Molecular Properties

ID: 69259

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1=C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.622

InChIKey:
NEBZNJDFIPBXCS-UHFFFAOYSA-N

ID: 69260

SMILES:
c1(O)cc(CCCC)c(O)c(O)c1C1C(C(C)=C)CC=C(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.976

InChIKey:
BTTGWGDQYMHVST-UHFFFAOYSA-N

ID: 69261

SMILES:
C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 69262

SMILES:
C(CCCc1cc2c(c(OC)c1)OC(C)(C)C1CCC(C)=CC21)C1OC(OC)C(O)C(O)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.61

CB1 binding score: -16.379

InChIKey:
JVPXNQQRXBYXPO-UHFFFAOYSA-N

ID: 69263

SMILES:
O1C2(Oc3c(c(OC)cc(CCCCC)c3)C(O)C2OC)CCC2C(OC(=O)C2(C)O)C1=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.539

CB1 binding score: -15.283

InChIKey:
VXVFHWUBSPTIQB-UHFFFAOYSA-N

ID: 69264

SMILES:
C12C(C(C)(C)Oc3c1c(O)cc(CCCCC)c3)CC1C(C)(OC2C=CC(C)=O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -13.658

InChIKey:
ZTGQPEYZEZTWJS-UHFFFAOYSA-N

ID: 69265

SMILES:
COc1c(C)cc(OC)c2c1OC(CCC1C(C)(C)O1)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -14.225

InChIKey:
UAMCUTBNKKRKGD-UHFFFAOYSA-N

ID: 69266

SMILES:
O(c1cc(CCC(O)C(C)(O)C)cc(O)c1CC=C(C)C)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -12.187

InChIKey:
RNOMZGFUQRQYIZ-UHFFFAOYSA-N

ID: 69267

SMILES:
c1(CCCCC)cc(O)c(CC=C(C)CC(C=C(C)C)=O)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.966

InChIKey:
YSMXWPZYPFPKRK-UHFFFAOYSA-N

ID: 69268

SMILES:
C12C(CO)C(O)(C(=O)C=C1C)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -15.058

InChIKey:
FTYAFTBWVGMENJ-UHFFFAOYSA-N

ID: 69269

SMILES:
C(CCCCC)Cc1c(-c2c(O)cc(C(O)CC)cc2O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.699

CB1 binding score: -15.08

InChIKey:
VWHINTLTYFQMND-UHFFFAOYSA-N

ID: 69270

SMILES:
C1C(O)CC2(C)Oc3c(c(OC(=O)C)cc(CCCCC)c3)CC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.689

InChIKey:
BWNQIORMZOWFLU-UHFFFAOYSA-N

ID: 69271

SMILES:
C12(C(C)(O)C)c3c(cc(CCCC)cc3O)OC3(C)CC(=CCC13)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.849

InChIKey:
NQJNALCXZVZDSV-UHFFFAOYSA-N

ID: 69272

SMILES:
C1(C)=CCC2C(C1)c1c(cc(C)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.619

InChIKey:
MMZAEMNNHWYQKW-UHFFFAOYSA-N

ID: 69273

SMILES:
CC1(C)Oc2cc(CCCCC)c(C(OCCCOC)=O)c(C(C(C)C)O)c2CC1Cl

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 455.035

CB1 binding score: -13.706

InChIKey:
KXBXOWYHDYKYHP-UHFFFAOYSA-N

ID: 69274

SMILES:
C(CCC(=CCc1c(O)cc(CC(O)C)c(O)c1)C)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -18.306

InChIKey:
QJRQZQBJSJPOFD-UHFFFAOYSA-N

ID: 69275

SMILES:
C12C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c3C1C=C(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.486

CB1 binding score: -19.258

InChIKey:
DYHMKBLKWFFFSZ-UHFFFAOYSA-N

ID: 69276

SMILES:
c1(CCCCC)c(C(O)=O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.507

InChIKey:
YKKHSYLGQXKVMO-UHFFFAOYSA-N

ID: 69277

SMILES:
CC(=O)Oc1c2c(cc(CCCCC)c1)OC1(C2)C(C)CCC2C1(C)CCC(=O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: -14.423

InChIKey:
PIDFSERYHPEPGB-UHFFFAOYSA-N

ID: 69278

SMILES:
C12CC=C(C)CC1c1c(O)cc(CCC)cc1OC2(C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.108

InChIKey:
WHUKCWHGSSSOBU-UHFFFAOYSA-N

ID: 69279

SMILES:
O1C(O)C2CC3(C1)C(CCC2C)C(C)(C)Oc1cc(CCCCC)cc(O)c13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -13.829

InChIKey:
UCGDIFCPCZYDSX-UHFFFAOYSA-N

3296329732983299330033013302
69259–69279 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