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Molecule Identifiers
Molecular Properties

ID: 105736

SMILES:
CC1(C)C2CC=C(C=O)CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.399

InChIKey:
DJVYNVITKRORPP-UHFFFAOYSA-N

ID: 105737

SMILES:
c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 105738

SMILES:
O=C1CC(C)=CC(c2cc(O)ccc2O)C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -13.421

InChIKey:
UDQHVVPZQSKNNY-UHFFFAOYSA-N

ID: 105739

SMILES:
C(CCC)c1c(O)c2c(c(O)c1)C1C(=C(C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -14.66

InChIKey:
SXUBZFGVDNSQHG-UHFFFAOYSA-N

ID: 105740

SMILES:
C(CCCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.609

InChIKey:
HAKUWGCTBUVNJQ-UHFFFAOYSA-N

ID: 105741

SMILES:
c1c(OC)c(O)cc2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.792

InChIKey:
PTRUQZFKQPKEPN-UHFFFAOYSA-N

ID: 105742

SMILES:
Oc1cc(C)c(C2C(C(=C)C)CCC(C)=C2)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.502

InChIKey:
PYYMFYMSJKXXFM-UHFFFAOYSA-N

ID: 105743

SMILES:
C(CC=C(CCC=C(C)C)C)C(=CCc1c(O)cc(CCc2ccccc2)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.621

CB1 binding score: -19.13

InChIKey:
IWSASXREQYAISF-UHFFFAOYSA-N

ID: 105744

SMILES:
C1(=O)c2cc(OC)c(O)c(CC=C(C)CCC=C(C(=O)C=CC(C)(O)C)C)c2C2=C1c1cccc(O)c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 652.828

CB1 binding score: -15.728

InChIKey:
VDSNUTXKQRJIQD-UHFFFAOYSA-N

ID: 105745

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 105746

SMILES:
Oc1c(O)cc2c(c1C(C(C)C)OCCC)OC(C)(C)C1C2CC(C)=CC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -18.999

InChIKey:
CPGIUCNOLFFPIF-UHFFFAOYSA-N

ID: 105747

SMILES:
C1OC1(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.49

InChIKey:
SSTVEDVYMDIZOZ-UHFFFAOYSA-N

ID: 105748

SMILES:
C1CC(C)=CC(c2c(O)ccc(CCNC)c2)C1C1(C)OC(C)(C)CCC1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 387.564

CB1 binding score: -13.522

InChIKey:
QTHJSXOQSCIRSJ-UHFFFAOYSA-N

ID: 105749

SMILES:
c1c(OC)c(OC(c2ccc(C=O)c(OCC=C(CCC=C(C)C)C)c2)C)ccc1CCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.646

CB1 binding score: -15.315

InChIKey:
WTDVQBAACLVVAL-UHFFFAOYSA-N

ID: 105750

SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCc1c(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: 105751

SMILES:
c1c(O)c(C2C(C(C)=C)CCC(C)=C2)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.171

InChIKey:
HFDMGJLGHZDMNB-UHFFFAOYSA-N

ID: 105752

SMILES:
CC1(C)Oc2ccc(CCCCC)cc2CC1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -14.398

InChIKey:
OGQFWCZLHNLRAE-UHFFFAOYSA-N

ID: 105753

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)C=CC(C)=C1)CC=C(C)C2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.556

CB1 binding score: -14.975

InChIKey:
QTVZYXAPTMWYMO-UHFFFAOYSA-N

ID: 105754

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C(O)CC(C=C)(C)OC1C2O)CC(CCC=C(C)C)(C)C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.649

CB1 binding score: -16.502

InChIKey:
OEPHSEXCRQRVJU-UHFFFAOYSA-N

ID: 105755

SMILES:
CC(=CCCC(C)=CCCC1(C)C(O)Cc2c(cc(CCCCC)cc2O)O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -19.601

InChIKey:
JXEWSPILIYHMCP-UHFFFAOYSA-N

ID: 105756

SMILES:
CC(=O)OC1CC2C(C)(C)Oc3c(ccc(C)c3)C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.571

InChIKey:
ZTOYBVKHCXORRY-UHFFFAOYSA-N

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105736–105756 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