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Molecule Identifiers
Molecular Properties

ID: 138727

SMILES:
CC1(C)C2CCC(C)=CC2c2cc(CC=C)cc(CC=C(C)C)c2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.519

CB1 binding score: -14.931

InChIKey:
KOQKLUORJUUYLZ-UHFFFAOYSA-N

ID: 138728

SMILES:
c1(O)cc(CC=C(C)C)cc2c1OC(CCCC(CO)C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.854

InChIKey:
NQJJKHRQXXOCDI-UHFFFAOYSA-N

ID: 138729

SMILES:
c1cc(CCC(=O)C)cc2c1C1C=C(C)C(=O)CC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -15.097

InChIKey:
UOEUZDRDEXRLEK-UHFFFAOYSA-N

ID: 138730

SMILES:
CC1(C)Oc2c(c(O)cc(CCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 138731

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.84

InChIKey:
CIDSACROHFISMP-UHFFFAOYSA-N

ID: 138732

SMILES:
C12C(=O)OCCCC=C(C(O)=O)C1Oc1cc(CCC)cc(O)c12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.352

CB1 binding score: -15.929

InChIKey:
KOROSEKVDVJFJZ-UHFFFAOYSA-N

ID: 138733

SMILES:
C=C1C(O)CC2C(C1O)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.635

InChIKey:
GQNFHNBDILCLRC-UHFFFAOYSA-N

ID: 138734

SMILES:
O1C(C)(C)C2CCC(C)=CC2c2c1cc(C=O)cc2OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.306

InChIKey:
VJOIRKVKGGFPFT-UHFFFAOYSA-N

ID: 138735

SMILES:
c1(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 138736

SMILES:
C(CC(C)=CCc1cc(O)cc2c1OC(C)(C)C(=O)C2)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.171

InChIKey:
DMHLQSXVHKKBFQ-UHFFFAOYSA-N

ID: 138737

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -14.634

InChIKey:
CHNOMKOTNNJPAB-UHFFFAOYSA-N

ID: 138738

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 398.631

CB1 binding score: -18.943

InChIKey:
QOVOSRUONCHPIN-UHFFFAOYSA-N

ID: 138739

SMILES:
C(C=C)(c1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.689

InChIKey:
LNRWKQTVRBFYLS-UHFFFAOYSA-N

ID: 138740

SMILES:
c1c(CCCc2ccccc2)cc(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.514

CB1 binding score: -16.502

InChIKey:
CTNKDFAGHJHOSX-UHFFFAOYSA-N

ID: 138741

SMILES:
CCCCCc1cc(OC)c2c(c1)OC(C)CC2=O

Pathway: Polyketides

Superclass: Chromanes;Meroterpenoids

Class: Cannabinoids;Chromones

MW: 262.349

CB1 binding score: -14.231

InChIKey:
RIKAEBPVMSTIMX-UHFFFAOYSA-N

ID: 138742

SMILES:
c1(CCCCC)cc2c(c(O)c1)CC(O)C(C)(CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.002

InChIKey:
ITDDKOGKAGSKEJ-UHFFFAOYSA-N

ID: 138743

SMILES:
C(Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.479

InChIKey:
QHFVULIOBFWRAD-UHFFFAOYSA-N

ID: 138744

SMILES:
C1(C)(C)Oc2c(C)c(C)cc(O)c2C2CC1CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -13.297

InChIKey:
COZWPQXUBZMDAI-UHFFFAOYSA-N

ID: 138745

SMILES:
C1(C)=CC2c3c(cc(CCCCC)cc3OC(=O)C)OC2(C)CCC(C(O)(C)C)CC(=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: -15.657

InChIKey:
LYTAUDKSLCDMTM-UHFFFAOYSA-N

ID: 138746

SMILES:
C(CCCC)c1cc2c(c(OC)c1)OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.7

InChIKey:
CXDMDOGDTCMJBD-UHFFFAOYSA-N

ID: 138747

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

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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