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Molecule Identifiers
Molecular Properties

ID: 136732

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.162

InChIKey:
GVVUQQWWMGBFAL-UHFFFAOYSA-N

ID: 136733

SMILES:
O1C(C)(C)C1C=CC(=CCc1c(O)c(C)cc(OC)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.379

InChIKey:
ITRZGUOFMOZUHF-UHFFFAOYSA-N

ID: 136734

SMILES:
C(CC(C)=CCc1cc(O)cc(C)c1OC)C=C(C)CC1OC(=O)C(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.514

InChIKey:
GSLILPNVKLHYJQ-UHFFFAOYSA-N

ID: 136735

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 136736

SMILES:
C1(O)C(C(c2c(O)cc(CCCCC)cc2O)=O)C(C(C)C)CCC1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.509

CB1 binding score: -14.605

InChIKey:
HZDFBWCWGYPLMK-UHFFFAOYSA-N

ID: 136737

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: 136738

SMILES:
C1(C)(C)Oc2cc(CCCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 136739

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(C(C)=O)c3C2C(O)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.038

InChIKey:
SVKKEZHIPMJBCB-UHFFFAOYSA-N

ID: 136740

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 136741

SMILES:
O1c2c(cc(C(CC)(CC)C)c(O)c2)C(=O)C1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -13.545

InChIKey:
ABQSGRDWTIEIDC-UHFFFAOYSA-N

ID: 136742

SMILES:
C(C(C)C)CCc1cc2c(c(O)c1)C1CCC(CO)(O1)C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.177

InChIKey:
ITQANUXBDAJGFP-UHFFFAOYSA-N

ID: 136743

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C=CC(C)(O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.929

InChIKey:
LNLDIARJUHLVEP-UHFFFAOYSA-N

ID: 136744

SMILES:
C(CCCc1cc2c(c(O)c1)C(=O)O2)C(=O)c1cc2c(c(O)c1)C1CC(C(C)=C)CC3C(C)(O3)C1(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 504.579

CB1 binding score: -15.191

InChIKey:
BHSZQGIFCXCZRD-UHFFFAOYSA-N

ID: 136745

SMILES:
c1(O)cc(OC)c(OC)cc1C1C=C(CCC=C(C)C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.826

InChIKey:
BHIDTIZKMZQPNH-UHFFFAOYSA-N

ID: 136746

SMILES:
CC1=CC2c3c(ccc(CCCCC)c3)C(=O)C1CC(CCC=C(C)C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.557

CB1 binding score: -14.293

InChIKey:
PMFVQFVIWQGRPY-UHFFFAOYSA-N

ID: 136747

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -18.653

InChIKey:
BAUFCAQNSLPYGF-UHFFFAOYSA-N

ID: 136748

SMILES:
Oc1ccccc1C1C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 136749

SMILES:
C1c2ccc3c(c2C(=O)C2c4c(cc(C)cc4O)C14CC=C(CC(C=C(C)C)=O)C42)CC(C)(C)O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.593

CB1 binding score: -16.481

InChIKey:
BFGKFONDLHNXJC-UHFFFAOYSA-N

ID: 136750

SMILES:
CC(C1=CCC(C)CC1c1c(O)cc(CCCCC)cc1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -16.029

InChIKey:
MMCXXMDOMBPUJL-UHFFFAOYSA-N

ID: 136751

SMILES:
c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 136752

SMILES:
c12cc(C)cc(O)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

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Molecule Overview

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