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Molecule Identifiers
Molecular Properties

ID: 31837

SMILES:
c1(O)c2c(c(CC=C(CCC=C(C)C)C)cc1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -16.736

InChIKey:
WECGBJFHZFCNBA-UHFFFAOYSA-N

ID: 31838

SMILES:
O1c2cc(CCCCC)cc(O)c2C2CC(C)=CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 31839

SMILES:
CC1(C)C2CCC(C)=CC2c2c(OC)cc(O)c3c2OC(C)(C(CC=C(C)C)C=C3)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -16.158

InChIKey:
NZFACOVOJYLMFZ-UHFFFAOYSA-N

ID: 31840

SMILES:
CC1(C)C2C3C1c1c(cc(CCCCC)cc1O)OC3(CO)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -13.355

InChIKey:
CFMGUJUZOGJAMH-UHFFFAOYSA-N

ID: 31841

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(O)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 31842

SMILES:
O(C(C1(C)C(C)Oc2c1c(O)cc(CCCCC)c2)=O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -15.929

InChIKey:
IVJIFNZETSCLIF-UHFFFAOYSA-N

ID: 31843

SMILES:
c1(C)cc(OC)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.372

InChIKey:
VRVBUCRQGHWYCT-UHFFFAOYSA-N

ID: 31844

SMILES:
C1CC(C)=CCC(C(=C)C)CC1c1c(O)cc(CC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.022

InChIKey:
CADNVAIMMBUTDD-UHFFFAOYSA-N

ID: 31845

SMILES:
C1=CC(C)(C)Oc2cc(C(CCCCC)O)c(O)c(CC=C(CCC=C(C)C)C)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -13.627

InChIKey:
NINIZGGAWHONQB-UHFFFAOYSA-N

ID: 31846

SMILES:
C1=C(C)CCC(C(C)=C)C1c1c(O)cc(O)cc1CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.327

InChIKey:
CDGOSXHOMFZLSF-UHFFFAOYSA-N

ID: 31847

SMILES:
C1CC(C(C)=CCC=C(C)C)C(c2c(O)cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.929

InChIKey:
PQMYIXLWMSGSFB-UHFFFAOYSA-N

ID: 31848

SMILES:
C1(O)(C)C(=O)CC2C1C1C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CCC1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -12.717

InChIKey:
FQIPLOYEKPSLLI-UHFFFAOYSA-N

ID: 31849

SMILES:
c12c(c(CCCCC)ccc1O)OC(C)(C)C1CCC(C(=O)O)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.801

InChIKey:
HIGRCFUQSPOESY-UHFFFAOYSA-N

ID: 31850

SMILES:
C(CCCC)c1cc(O)c(C2C(C(C)=C)CC=C(CCC=C(C)C)C2CCCCCC)c(O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.749

CB1 binding score: -15.981

InChIKey:
RZCASDOTCUHNDL-UHFFFAOYSA-N

ID: 31851

SMILES:
C1c2c(c(C)ccc1C)-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: -14.281

InChIKey:
GZARPFLIRVZVTC-UHFFFAOYSA-N

ID: 31852

SMILES:
C1(C)(CCC=C(C)C)Oc2c(c(O)cc(CCCCCC)c2)C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -17.095

InChIKey:
HFBZIOXWNGGNFX-UHFFFAOYSA-N

ID: 31853

SMILES:
C1(Cc2c(O)cc(CCCCC)cc2O)C(C)(CCC=C(CCC=C(C)C)C)C(=O)C(C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.689

CB1 binding score: -12.506

InChIKey:
QEECPTFULPHQBN-UHFFFAOYSA-N

ID: 31854

SMILES:
CC(C)CC(=O)c1c(O)c(C(=O)C(CC)C)c2c(c1)OC(C)(C)C1CCC(C)(O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -13.073

InChIKey:
AXHJNCRRHWISDT-UHFFFAOYSA-N

ID: 31855

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C=CCCC(C)=CCCC(C)(C=C)O)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -13.442

InChIKey:
XJCOZNPVOJCNOO-UHFFFAOYSA-N

ID: 31856

SMILES:
c1(O)cc(CC=C(C)CCC=C(C)C)c(C(O)=O)c(O)c1C1CC(C)=CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -16.015

InChIKey:
VNXCNWFOVPVUGS-UHFFFAOYSA-N

ID: 31857

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.585

InChIKey:
GVRWRPCOHGDIFX-UHFFFAOYSA-N

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31837–31857 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