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Molecule Identifiers
Molecular Properties

ID: 135535

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 135536

SMILES:
O=C1c2c(ccc(C)c2)C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -16.615

InChIKey:
GNYDDYAATAGGQG-UHFFFAOYSA-N

ID: 135537

SMILES:
CC1(C)C(CCC2(C)C=Cc3c(c(C)cc(OC)c3)O2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -18.518

InChIKey:
MGUMOGKRUQUDBQ-UHFFFAOYSA-N

ID: 135538

SMILES:
Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.852

InChIKey:
SFUFRHMPPGZMCA-UHFFFAOYSA-N

ID: 135539

SMILES:
C(CC=C(C)C)C1(C)C2CCC(=C)CC23c2c(cc(CCCCC)cc2O)OC13O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -15.718

InChIKey:
OXDZLLSQRYZMAC-UHFFFAOYSA-N

ID: 135540

SMILES:
CC(C1C(=O)CCC2(C)Oc3cc(CCCCC)cc(O)c3C2C1)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.832

InChIKey:
INQQJBIICKZYOW-UHFFFAOYSA-N

ID: 135541

SMILES:
c1(C2C=C(C)CCC2C(=C)C)cc(O)c(C(=O)Oc2cc(O)cc(C)c2)c(CC=C(C)C)c1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 514.706

CB1 binding score: -13.808

InChIKey:
GRVHRCVMLXBAHB-UHFFFAOYSA-N

ID: 135542

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 135543

SMILES:
C1CC(C)=CC2C1C(C)(C)Oc1cc(O)c(CC=C(C)C)c(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.684

InChIKey:
UMGKUBBSMWRDJD-UHFFFAOYSA-N

ID: 135544

SMILES:
C1=C(C(=C2C(C)(C=COC(=O)CCCCC)CCC(=CCc3cc(OC)cc(C)c3O)C)OC2(C)C)C2=C(C(O)C(C)C2)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 618.811

CB1 binding score: -14.458

InChIKey:
IFIUAUTYWQAZMJ-UHFFFAOYSA-N

ID: 135545

SMILES:
C1C2C(C)(C)Oc3c(cc(CCCCC)cc3OC(C)=O)CC2C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -13.57

InChIKey:
AMJFWPOQFRGSIX-UHFFFAOYSA-N

ID: 135546

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 135547

SMILES:
C1(C=C(C)C)C(C)(C)C1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -13.345

InChIKey:
NLTDCSULCPBYIO-UHFFFAOYSA-N

ID: 135548

SMILES:
c1c(CC)c(O)cc2c1C=CC(C)(CCC1C(C)(C)O1)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.929

InChIKey:
IXBQURCGRZEDOJ-UHFFFAOYSA-N

ID: 135549

SMILES:
CC1(C)C2CCC(C)(O)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 135550

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 135551

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1CCc1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.594

CB1 binding score: -15.288

InChIKey:
YABNPWIDKOYCER-UHFFFAOYSA-N

ID: 135552

SMILES:
Oc1cc(CCCCC)cc2c1C1C=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: 135553

SMILES:
Oc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 135554

SMILES:
C12C3C(C)(CCC1C(C)C)Oc1cc(CCCCC)cc(O)c1C3C2(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -16.943

InChIKey:
JVBIWNLWPQOTQW-UHFFFAOYSA-N

ID: 135555

SMILES:
c1(C2C(C(OC)=O)C(C(=O)OC)=COC2=O)c2c(ccc1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.492

CB1 binding score: -12.701

InChIKey:
QZFUQSAMIPCDQN-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