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Molecule Identifiers
Molecular Properties

ID: 131860

SMILES:
c1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.317

CB1 binding score: -16.203

InChIKey:
IWIOYKCXPDETMC-UHFFFAOYSA-N

ID: 131861

SMILES:
Oc1c(CC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 131862

SMILES:
C(C)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 131863

SMILES:
c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 131864

SMILES:
CC(CCC=C(C)C)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 131865

SMILES:
C(CCC)CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.784

InChIKey:
QPUHYZGLKQWEKI-UHFFFAOYSA-N

ID: 131866

SMILES:
C1(C)C2(C)C(OC(C)=O)C(O)(c3c(O)cc(CCC)cc3O2)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -11.896

InChIKey:
SWRLENKMUSCDHS-UHFFFAOYSA-N

ID: 131867

SMILES:
Oc1cc(CC=C(C)C)c(O)cc1C1(CC=C(C)CCC=C(C)C)CCC(=O)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -14.95

InChIKey:
MUBWLCVRGIUHQZ-UHFFFAOYSA-N

ID: 131868

SMILES:
c1(O)cc2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.879

InChIKey:
QUTSEXVWDYCFLT-UHFFFAOYSA-N

ID: 131869

SMILES:
C1(=C)C(O)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.502

InChIKey:
HDNJNVPZXVJOMB-UHFFFAOYSA-N

ID: 131870

SMILES:
O1C2C(C(C)=C1)c1c(cc(CCCCC)cc1OC)OC(C)(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -13.826

InChIKey:
DZBKSLLVKQZRIU-UHFFFAOYSA-N

ID: 131871

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -12.249

InChIKey:
WPSCLOVYGPIAKK-UHFFFAOYSA-N

ID: 131872

SMILES:
C1(O)(C)CCC(C(C)(O)C)Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.472

CB1 binding score: -16.188

InChIKey:
ZWJSFMOAAXPYJX-UHFFFAOYSA-N

ID: 131873

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC1CC3C(=O)CC1(C)OC(O)C23C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -12.506

InChIKey:
HVYBBIOAHFJGLM-UHFFFAOYSA-N

ID: 131874

SMILES:
C(Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(OC)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.854

InChIKey:
OZYYEDPTJXVZJQ-UHFFFAOYSA-N

ID: 131875

SMILES:
C1(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 131876

SMILES:
C1(C)(C)C2CCC(C(=O)O)=CCCC(C)=CC2c2c(O)cc(CCC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -13.178

InChIKey:
FFZFXWJYVNXTPU-UHFFFAOYSA-N

ID: 131877

SMILES:
c1(O)c2c(c3c(c1)OC(C)(C)C(=O)c1c(O)cc(CCCCC)cc1O3)CCC(C)(CCC=C(C)C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.655

CB1 binding score: -15.031

InChIKey:
LSDNBINGHNHRBD-UHFFFAOYSA-N

ID: 131878

SMILES:
c1cc(CCCCC)cc(C2C(C(C)C)CCC(C)=C2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 284.487

CB1 binding score: -16.438

InChIKey:
FZKDNZVILILJLN-UHFFFAOYSA-N

ID: 131879

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(C)CC2(C)C)C(=O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -19.791

InChIKey:
IIXJCSLRPFGJCY-UHFFFAOYSA-N

ID: 131880

SMILES:
c1(CCCCC)ccc2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -16.502

InChIKey:
FZMAGZDJZDKIJO-UHFFFAOYSA-N

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131860–131880 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