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Molecule Identifiers
Molecular Properties

ID: 106492

SMILES:
C=Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -18.09

InChIKey:
MOGXJOHEBSGEPO-UHFFFAOYSA-N

ID: 106493

SMILES:
c1c(CC=O)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.748

InChIKey:
KEBLMJFKEVAPFE-UHFFFAOYSA-N

ID: 106494

SMILES:
C(Cc1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -17.893

InChIKey:
UHLNWRJAUNMUTI-UHFFFAOYSA-N

ID: 106495

SMILES:
CCCCc1cc(O)cc(CC=C(C)CCC=C(CCC=C(C)C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.578

CB1 binding score: -16.049

InChIKey:
CFMVQCSJTKJOTL-UHFFFAOYSA-N

ID: 106496

SMILES:
C1CC(C)=C(O)C(c2c(OC)cc(CCCCC)cc2OC(C)=O)C1C(O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.547

CB1 binding score: -15.701

InChIKey:
OOSVMTUHLFVAKI-UHFFFAOYSA-N

ID: 106497

SMILES:
CC1CCC2(C)Oc3c(c(O)cc(C)c3)C2C1C=CC(C)(C)OO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.429

InChIKey:
KHURLQRBVNNCMR-UHFFFAOYSA-N

ID: 106498

SMILES:
c1(CC2C(CCC=C(C)C)=CCCC2C)c(OC)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -12.698

InChIKey:
AHJMTSKPCRWYTR-UHFFFAOYSA-N

ID: 106499

SMILES:
C(CCCc1cc(O)c2c(c1)CCC2C(C)=C)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -13.433

InChIKey:
XHAFWHVRUKORAQ-UHFFFAOYSA-N

ID: 106500

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(=C(C)CCC1C(C)=C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.644

InChIKey:
IEERHDNDIMSELQ-UHFFFAOYSA-N

ID: 106501

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.334

InChIKey:
LMTQDQLMOBKYNY-UHFFFAOYSA-N

ID: 106502

SMILES:
C1C(OC(C)=O)C2C(c3c(O)cc(CCCCC)cc3OC2(C)C)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.944

InChIKey:
HTPNXIVNXAMVFM-UHFFFAOYSA-N

ID: 106503

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(CCC=C(C)C)CC(O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.815

InChIKey:
LRYNFDZEPMGBAF-UHFFFAOYSA-N

ID: 106504

SMILES:
CC1=C(O)C2=C(C(c3cc(CCCCC)cc(O)c3)C1=O)CC(C(C)=C)C21CO1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.511

CB1 binding score: -13.915

InChIKey:
HEBWOAAPMZGSRQ-UHFFFAOYSA-N

ID: 106505

SMILES:
O=C1c2c(O)c(C(=O)O)c(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.331

CB1 binding score: -16.825

InChIKey:
DEZOOYWMTLAASC-UHFFFAOYSA-N

ID: 106506

SMILES:
C(CCCc1cc(O)c(CC=C(CCC=C(CC(CC(C)C)=O)C)C)c(O)c1)C(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -15.187

InChIKey:
WHYNCEJVYNKOIU-UHFFFAOYSA-N

ID: 106507

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 106508

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -18.957

InChIKey:
XFYKOYWZVVGAEV-UHFFFAOYSA-N

ID: 106509

SMILES:
C1CC(C)=CC(c2c(O)c(O)cc(CCOC)c2)C1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -13.947

InChIKey:
YIWYDTDGEDOROV-UHFFFAOYSA-N

ID: 106510

SMILES:
c1(O)c2c(cc(CC=C(C)C)c1OC)COc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -15.662

InChIKey:
PTJMOPDVPGGIAF-UHFFFAOYSA-N

ID: 106511

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)C=C21)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -13.68

InChIKey:
TZIQDLDVKWTJMV-UHFFFAOYSA-N

ID: 106512

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C(=C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
KKGGNLGHOSMNOH-UHFFFAOYSA-N

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106492–106512 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