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Molecule Identifiers
Molecular Properties

ID: 133141

SMILES:
C(=C(C)CCC=C(C)C)Cc1c(O)cc(CCCCC)c(C(=O)O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 133142

SMILES:
C12(C)Oc3cc(C)cc(O)c3C1CC(C)=CC2C(O)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -12.714

InChIKey:
IAXMFHGCSIMDGE-UHFFFAOYSA-N

ID: 133143

SMILES:
C1CC(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 133144

SMILES:
C1(=O)C(C(C)=C)C(C)(C(C)CC)C(CC(=CCc2c(O)c(C)cc(OC)c2)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.246

InChIKey:
PHALZNITDDGEOP-UHFFFAOYSA-N

ID: 133145

SMILES:
C(c1cc(O)cc2c1OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -14.888

InChIKey:
YEFDRYFFHMZCSA-UHFFFAOYSA-N

ID: 133146

SMILES:
c12c(O)cc(CCC)c(O)c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.536

InChIKey:
JFMVSGJOZFPANL-UHFFFAOYSA-N

ID: 133147

SMILES:
O(c1c2c(cc(C)c1)OC(C)(C)C=CCC(C)=CCCC(C)=CC2=O)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -13.968

InChIKey:
IKVFQFVMPCDPCK-UHFFFAOYSA-N

ID: 133148

SMILES:
C1C(C)=CCCC2(C)C(Cc3c(O)cc(CCCCC)cc3O2)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -13.842

InChIKey:
YZHGOVRTUVSRAH-UHFFFAOYSA-N

ID: 133149

SMILES:
C1(C)(CCC2CC=C(CCC=C(C)C)CC2(OC)C)Oc2c(c(O)cc(C)c2)CC1OS(=O)(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.677

CB1 binding score: -15.625

InChIKey:
NUVMEDACXCXBBX-UHFFFAOYSA-N

ID: 133150

SMILES:
c12c(c(O)cc(CCCCC)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: 133151

SMILES:
Oc1c(C(CC(C)C)=O)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -16.616

InChIKey:
GSIGZRDHTNPMRL-UHFFFAOYSA-N

ID: 133152

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(=O)CC(C)(CCC=C(C)C)OC3CC1C(C)(C)OC(=O)C23

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.661

CB1 binding score: -13.701

InChIKey:
XOMWBVJEXXTDMZ-UHFFFAOYSA-N

ID: 133153

SMILES:
Oc1c(C2C=C(C)CCC2C(C)=C)c(O)c(C=O)c(O)c1CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -16.929

InChIKey:
KCSSLCDTEFCDAH-UHFFFAOYSA-N

ID: 133154

SMILES:
C(=CCc1c2c(cc(O)c1)OC(C)(C)C1C2C=C(C)CC1)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -14.172

InChIKey:
XLUCVCLUYZQVAD-UHFFFAOYSA-N

ID: 133155

SMILES:
Oc1c(CC=C(C)CC2C(C(=O)C=C(C)C)C(C)=CCC2C(=C)C)c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.717

CB1 binding score: -13.493

InChIKey:
KOWBETBFWMOBQJ-UHFFFAOYSA-N

ID: 133156

SMILES:
C12C=C(C)CCC1C(C)(C)Oc1c2cc(C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.913

InChIKey:
USHZBDBBZHEKPJ-UHFFFAOYSA-N

ID: 133157

SMILES:
C(C=C(CCC=C(C)C=O)C)c1c(O)cc(CCCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.491

InChIKey:
XHHKTQPFVOZAMX-UHFFFAOYSA-N

ID: 133158

SMILES:
C1(O)C(C)C2(CC(=C(C)C)C1=O)Oc1cc(CCCCC)cc(O)c1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.929

InChIKey:
CDSGQOGKLXCKJE-UHFFFAOYSA-N

ID: 133159

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 133160

SMILES:
CC(C1=CC(C)C2(C)Oc3c(c(O)cc(CCCCC)c3)C2C1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.682

InChIKey:
NGGAWROOSQKBFQ-UHFFFAOYSA-N

ID: 133161

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(CCC3C(=C)CCC4C3(C)CCCC4(CO)C)C12CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.716

CB1 binding score: -11.403

InChIKey:
NHIJRFKMBNSMEW-UHFFFAOYSA-N

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133141–133161 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