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Molecule Identifiers
Molecular Properties

ID: 98134

SMILES:
C(Cc1ccc(O)c(C2C=C(C)CCC2C(=C)C)c1O)=CCOC=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: Not available

InChIKey:
DOQVOMXARKOFTH-UHFFFAOYSA-N

ID: 98135

SMILES:
C1(C)=C(CCC(C)=CCCC(CCc2cc(OC)cc(C)c2O)C)CC(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.669

CB1 binding score: -14.767

InChIKey:
KDITUUOAAZVRPZ-UHFFFAOYSA-N

ID: 98136

SMILES:
C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)(C=CC=C(C)C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -14.139

InChIKey:
FTECJECBLOLDOS-UHFFFAOYSA-N

ID: 98137

SMILES:
O=C(OCC1(C)Cc2C(c3c(cc(CCCCC)cc3O)O1)C(=O)C(C)C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -14.625

InChIKey:
YGNMKVRPNATVQL-UHFFFAOYSA-N

ID: 98138

SMILES:
c12c(O)cc(CCCCC)c(C(=O)O)c1OC1(C)CC(O)C(C(=C)C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -16.408

InChIKey:
SJCFGSBWGRRSOK-UHFFFAOYSA-N

ID: 98139

SMILES:
C1(C)=CCCC(C)=CCCC(CO)=CC=C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.69

CB1 binding score: -15.055

InChIKey:
POCUZXHHMUXDQP-UHFFFAOYSA-N

ID: 98140

SMILES:
C1(=O)Oc2cc(CCCCC)cc(O)c2C2C1(C)CC(O)C(=C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -13.509

InChIKey:
LKLJGTDOSZVTAI-UHFFFAOYSA-N

ID: 98141

SMILES:
CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C(CC=C(C)C=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -13.182

InChIKey:
AQCAEMULIXRANC-UHFFFAOYSA-N

ID: 98142

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C=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: 98143

SMILES:
C12C(C)(C)CCCC1(C)Oc1c(c(O)cc(CCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 288.431

CB1 binding score: -18.4

InChIKey:
IYJFZOBKCYBWAD-UHFFFAOYSA-N

ID: 98144

SMILES:
C(CCc1cc2c(c(OC)c1OC)OC(C)(C)C1CCC(C)=CC21)(=O)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -13.742

InChIKey:
SVQDKQRZKAVUTF-UHFFFAOYSA-N

ID: 98145

SMILES:
CC1(C)Oc2cc(C)c(OC)cc2C2C(=C)CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -15.718

InChIKey:
KWTCYFPEWWCXMP-UHFFFAOYSA-N

ID: 98146

SMILES:
Oc1c(C=O)c(O)c2c(c1O)OC(CCC=C(C)C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -15.823

InChIKey:
LRBOZFXMEWOUQR-UHFFFAOYSA-N

ID: 98147

SMILES:
COc1cc(CCCC)cc2c1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.144

InChIKey:
MIOSEPHWQQFWCX-UHFFFAOYSA-N

ID: 98148

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC1CC(=O)C(C)=CCC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.372

InChIKey:
VUBDMXSMEUWEDY-UHFFFAOYSA-N

ID: 98149

SMILES:
C(C(C(OCc1cc(O)c2c(c1C)OC(C)(C)C1CCC(C)C(=O)C21)C)=O)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -13.845

InChIKey:
UQBBDADPVIZXBI-UHFFFAOYSA-N

ID: 98150

SMILES:
C1C(CO)=CCCC(C)=CCC2C(C)(C)Oc3c(c(O)cc(CCCC)c3)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -13.323

InChIKey:
HADWXDMGRXBMFA-UHFFFAOYSA-N

ID: 98151

SMILES:
c1(CCCCC)c(C2C(C(C)C)CCC(C)=C2)c(O)ccc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.873

InChIKey:
WVUMATMYFQAKQN-UHFFFAOYSA-N

ID: 98152

SMILES:
CC1(C)C2C(c3c(O)cc(CCCCC)cc31)OC(C(O)(C)CCC=C(C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -14.45

InChIKey:
FSAPIEMVDDYBON-UHFFFAOYSA-N

ID: 98153

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(CCC(COC(CC(C)C)=O)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -17.768

InChIKey:
FUGVCHFLFOTYNL-UHFFFAOYSA-N

ID: 98154

SMILES:
C(CCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.354

InChIKey:
OJTMRZHYTZMJKX-UHFFFAOYSA-N

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98134–98154 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