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Molecule Identifiers
Molecular Properties

ID: 124636

SMILES:
C1(C)=CCC(C(OC)(C)C)=CC1=Cc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.251

InChIKey:
KPVVFSZTVYENMW-UHFFFAOYSA-N

ID: 124637

SMILES:
C1(C(CO)=CCC2C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CCC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -13.842

InChIKey:
GAYGNDVQHZKORN-UHFFFAOYSA-N

ID: 124638

SMILES:
Oc1c(C2CC(=C)C(O)CCC2(C)O)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -15.132

InChIKey:
ZXPSZEQNVFDZBW-UHFFFAOYSA-N

ID: 124639

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.366

InChIKey:
VERXEVHRCHYQLR-UHFFFAOYSA-N

ID: 124640

SMILES:
C12C(C(=O)C(C)=CC1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.892

InChIKey:
WBFVHFCVGUDTNV-UHFFFAOYSA-N

ID: 124641

SMILES:
C1C(=O)c2c(C)cc3c(c2OC1(C)C)C1C(C)(O3)CC=C(CCC=C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.528

CB1 binding score: -14.48

InChIKey:
KDLKCZSPPZOAER-UHFFFAOYSA-N

ID: 124642

SMILES:
c1c(CCCC)cc(O)c(C2C(C(C)=C)CC=C(C)C2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -17.123

InChIKey:
ODWIGQYWBWGPPW-UHFFFAOYSA-N

ID: 124643

SMILES:
C1CCC2=C(C3C14CC(=C(C)C)C(=O)C43)C(C=C(CO)C)C(=O)c1c(O)c(C(=O)O)c(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 534.649

CB1 binding score: -13.391

InChIKey:
DZBGUYJOZJJFPD-UHFFFAOYSA-N

ID: 124644

SMILES:
C1(C)=CC2c3c(O)cc(CCCCC)cc3OC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.03

InChIKey:
IYFHTPICDCXBFN-UHFFFAOYSA-N

ID: 124645

SMILES:
C1C2CC(C)(C)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.309

InChIKey:
PVGJMSRBGWGHGS-UHFFFAOYSA-N

ID: 124646

SMILES:
C1=CC(O)(C)CCC=C(C)C2Oc3cc(CCCCC)cc(O)c3C2(O)C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -16.74

InChIKey:
WYKYQKZVXWSJFQ-UHFFFAOYSA-N

ID: 124647

SMILES:
C1(C(=C)C)C(c2ccc(CCCCC)cc2OC(C)=O)CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.405

InChIKey:
SVNQXNHKAJTHRH-UHFFFAOYSA-N

ID: 124648

SMILES:
c1(O)c(CC=C(C)C)cc(C2C=C(C)CCC2C(=C)C)c(O)c1C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.648

InChIKey:
RDHIKXUAKGWNJR-UHFFFAOYSA-N

ID: 124649

SMILES:
C1(=C(C)C(O)=O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.069

InChIKey:
MUWIBUDFQZBZML-UHFFFAOYSA-N

ID: 124650

SMILES:
C1(c2cc(O)c(CC=C(C)C)cc2OC)OCC(C)=CC1c1c(CC=C(C)C)c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.765

CB1 binding score: -13.498

InChIKey:
GOXPHQTYSQYNEA-UHFFFAOYSA-N

ID: 124651

SMILES:
CC(O)(C)C1Oc2cc(C)cc(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.556

InChIKey:
CVNFICXKBLCNOY-UHFFFAOYSA-N

ID: 124652

SMILES:
CCCc1cc(O)c(O)c2c1OC(CCC=C(C)C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.118

InChIKey:
ORRLCGHMXRMPAY-UHFFFAOYSA-N

ID: 124653

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.502

CB1 binding score: -17.372

InChIKey:
ACOLREACBPQROW-UHFFFAOYSA-N

ID: 124654

SMILES:
c12cc(CCCCC)cc(O)c1C1C(C)(C)C(=C2C)CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -15.333

InChIKey:
UGVXIDGKYNNNNH-UHFFFAOYSA-N

ID: 124655

SMILES:
Oc1c2c(cc(C)c1C1C=C(C)CCC1C(C)=C)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -15.029

InChIKey:
HZMZVHALPINVNX-UHFFFAOYSA-N

ID: 124656

SMILES:
C(C(=CC)C)CC(C1(C)CCC(C)=CC1c1cc(O)ccc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.578

InChIKey:
SLNCZORDOJSABQ-UHFFFAOYSA-N

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124636–124656 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