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Molecule Identifiers
Molecular Properties

ID: 78352

SMILES:
c1(CC(C)C)cc2c(c(O)c1)C1CC(=C)CC(O)C2C(C)(C)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.066

InChIKey:
VXYSGEPQSBUUJV-UHFFFAOYSA-N

ID: 78353

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(CO)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 78354

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -18.036

InChIKey:
BTTRWQMCLAXICU-UHFFFAOYSA-N

ID: 78355

SMILES:
O=C(CC=O)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.39

CB1 binding score: -16.769

InChIKey:
BJINMZKIPXIXDI-UHFFFAOYSA-N

ID: 78356

SMILES:
C1c2c(CCC(O)C(C)(C)O)cc(O)cc2OC(C)(C)C1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.39

CB1 binding score: -16.029

InChIKey:
UZLSHNTVASSMKE-UHFFFAOYSA-N

ID: 78357

SMILES:
C(CCc1cc(O)c2c(c1)C(C)(O)C1=C(C2=O)OC(C)(C)C2CC(O)C(C)(O)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.541

CB1 binding score: -15.19

InChIKey:
BMIVKFQBXXCLRL-UHFFFAOYSA-N

ID: 78358

SMILES:
C(CCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 428.613

CB1 binding score: -18.353

InChIKey:
QNRJPRFPLQBROG-UHFFFAOYSA-N

ID: 78359

SMILES:
CCCCCCc1cc2c(c(O)c1)C1C(C(CO)CO1)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -16.846

InChIKey:
YWBNLRJEWIRQPL-UHFFFAOYSA-N

ID: 78360

SMILES:
C1C2(c3c(cc(CCCCC)cc3O)OC2(C)C)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.503

InChIKey:
AJPSQUBOOMDNOA-UHFFFAOYSA-N

ID: 78361

SMILES:
c12c(c(O)cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.028

InChIKey:
BNDLCGBREIIGHD-UHFFFAOYSA-N

ID: 78362

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1=CC3(C(C)CC(O)CC(C)CC(=O)C13)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -15.541

InChIKey:
UQDXHGJBOXKZKU-UHFFFAOYSA-N

ID: 78363

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.236

InChIKey:
ISFJBVDYHLICJJ-UHFFFAOYSA-N

ID: 78364

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 78365

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C(OC)=O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.943

InChIKey:
CCMWHLPOQSRJEP-UHFFFAOYSA-N

ID: 78366

SMILES:
C12(C(CCC=C(C)C)(C)CCCC1C)Oc1c(c(O)cc(CCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -17.792

InChIKey:
LLRWRLCYDXTVEK-UHFFFAOYSA-N

ID: 78367

SMILES:
c12cc(CCCCC)c(C(=O)O)c(O)c1C1CC(CC=C1C)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.59

InChIKey:
QNPYYSQJAPOORG-UHFFFAOYSA-N

ID: 78368

SMILES:
C(c1cc(OC)c2c(c1)OC(C)(CCC=C(C)CCC=C(C)C)C=C2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -15.724

InChIKey:
ZPMOKPWJCSKOFF-UHFFFAOYSA-N

ID: 78369

SMILES:
C1(O)C(C)=CC2c3c(cc(CCCCC=CCO)cc3O)OC(CO)(CC1)C2=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -12.896

InChIKey:
XFRCHCLKYMOFKQ-UHFFFAOYSA-N

ID: 78370

SMILES:
CC1(C)C2C(=CC(C)CC2)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.727

InChIKey:
YLTWYAXWDLZZCU-UHFFFAOYSA-N

ID: 78371

SMILES:
C1=C(C)C(OC(=O)C)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.976

InChIKey:
PGFFULLVBBCSMB-UHFFFAOYSA-N

ID: 78372

SMILES:
C(SC)Cc1cc2c(c(O)c1)C1CC(CC1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.444

CB1 binding score: -15.662

InChIKey:
ZNYMJKFAYQCTFI-UHFFFAOYSA-N

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78352–78372 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