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Molecule Identifiers
Molecular Properties

ID: 118483

SMILES:
c1c(CC2C(C(=C)C)CC(O)C(C)=C2)c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -13.956

InChIKey:
PLZZMNPQDGTFJP-UHFFFAOYSA-N

ID: 118484

SMILES:
C1C(COO)=CC(c2c(O)cc(CCCCCC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.215

InChIKey:
LYVYBOCQUWZTBV-UHFFFAOYSA-N

ID: 118485

SMILES:
CC1(C)Oc2cc(O)cc(CCCCC)c2C2C1=CC(=O)C1C(C1(C)C)C2(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -13.788

InChIKey:
BGOZJDAHEMVOFS-UHFFFAOYSA-N

ID: 118486

SMILES:
C(C#N)c1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 339.523

CB1 binding score: -14.99

InChIKey:
KUNWGPFKFSAVQR-UHFFFAOYSA-N

ID: 118487

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 118488

SMILES:
C1(C)=CCC2C(CC2(C)C)c2c1cc(CCCCC)cc2O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -16.527

InChIKey:
MJWMUWKSBCCBGC-UHFFFAOYSA-N

ID: 118489

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -16.752

InChIKey:
ZXXLPLVPOBSLTA-UHFFFAOYSA-N

ID: 118490

SMILES:
CC1(C)Oc2c(c(O)cc(C(CCC)CCCCC)c2)CC2(C)C1CCCC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -14.845

InChIKey:
SFPVILVYQNAQMS-UHFFFAOYSA-N

ID: 118491

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2(C)CCCC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.189

InChIKey:
NYRYJPVIDWTJGB-UHFFFAOYSA-N

ID: 118492

SMILES:
O=C(C)OCC(C)=CCCC(=CCOc1cc(O)cc(CCCCC)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.858

InChIKey:
MWUVNLCUKPVXAQ-UHFFFAOYSA-N

ID: 118493

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C3(CCC(NC)(C(=C)C3(C)C)C2=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 383.532

CB1 binding score: -12.394

InChIKey:
JKTANEJFGIRQDG-UHFFFAOYSA-N

ID: 118494

SMILES:
c1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.423

InChIKey:
MRLLOLSGDYQJHB-UHFFFAOYSA-N

ID: 118495

SMILES:
Cc1cc2c(cc1)C(C)(C)Oc1ccc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -13.633

InChIKey:
CWURIDVBHCDFTN-UHFFFAOYSA-N

ID: 118496

SMILES:
Cc1c(O)c(C(CC(C)C)=O)c(O)c(C2C(C(C)=C)CCC(C)=C2)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -18.151

InChIKey:
DICLDIGJNNQKKR-UHFFFAOYSA-N

ID: 118497

SMILES:
Oc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)CC12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.388

InChIKey:
RRFGBNZCKQNCSH-UHFFFAOYSA-N

ID: 118498

SMILES:
C(C(C(C)C)=C)CC(=CCCC1(C)C=Cc2c(cc(C)c(OC)c2)O1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -14.605

InChIKey:
AOOLOVQTACIJAE-UHFFFAOYSA-N

ID: 118499

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 118500

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 118501

SMILES:
C(CC)COc1ccc2c(c1O)C=CC(CCC=C(C)C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.913

InChIKey:
KYPHBGLBNPWHFF-UHFFFAOYSA-N

ID: 118502

SMILES:
CC1(O)C2C(CC(C)C)c3c(cc(CCCCC)cc3O2)OC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.029

InChIKey:
CTGNOTVBCXMAEI-UHFFFAOYSA-N

ID: 118503

SMILES:
C1CC(C)=CC(c2c(O)cc(CCC)cc2OC)C1C(C)(C)OO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -14.491

InChIKey:
ZIVCTPNXHAZVAX-UHFFFAOYSA-N

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118483–118503 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