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Molecule Identifiers
Molecular Properties

ID: 75139

SMILES:
O(c1cc2c(cc1C)OC(C)(C)C1CCC(C)(O)C21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -18.201

InChIKey:
NOIURKCIWTZJSZ-UHFFFAOYSA-N

ID: 75140

SMILES:
C(CCCC)c1cc(O)c2c(c1C(OC)=O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.978

InChIKey:
LKLZAPSGDVLPGH-UHFFFAOYSA-N

ID: 75141

SMILES:
Cc1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.218

InChIKey:
CNCURDLLOPZUIO-UHFFFAOYSA-N

ID: 75142

SMILES:
Oc1c(C(C(CC)C)=O)c2c3c(cc(C)c2)OC(C)(C)C13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -16.078

InChIKey:
GMJGWTSECVXYJN-UHFFFAOYSA-N

ID: 75143

SMILES:
Cc1cc(O)cc2c1C(=O)C1(O)C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.621

InChIKey:
CROZISNDMGAMQQ-UHFFFAOYSA-N

ID: 75144

SMILES:
COc1cc(CCCCC)c(C2CCC(=C)C(C(CCC=C(C)COC(=O)C(C)=CC)(C)O)N2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 497.72

CB1 binding score: -14.672

InChIKey:
YXFZRKJVRPWXLQ-UHFFFAOYSA-N

ID: 75145

SMILES:
C(Cc1cc(O)cc(C2C=C(C)CCC2C(=C)C)c1)(O)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -16.761

InChIKey:
GWSRUEPRYNCOIB-UHFFFAOYSA-N

ID: 75146

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -13.454

InChIKey:
JZXQWTRPELIYMC-UHFFFAOYSA-N

ID: 75147

SMILES:
C1(C)=CC(c2c(O)cc(CCCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 75148

SMILES:
CC(C)CCc1cc(O)cc(O)c1CC1=C(C)CC(C)(C)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.519

InChIKey:
XAGTTYBHXNCLQR-UHFFFAOYSA-N

ID: 75149

SMILES:
c1(CCCC)cc(OC)cc(CC=C(Cc2cc(C(OC)=O)c(O)cc2CC=C(CCC=C(C)C)C)C)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 518.738

CB1 binding score: -12.277

InChIKey:
ISZWQIKWAFUAST-UHFFFAOYSA-N

ID: 75150

SMILES:
C(C)CCCc1ccc2c(c1O)C(CCCCC)CC1CCC=C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.524

CB1 binding score: -13.003

InChIKey:
JSELGXFMKVWUIO-UHFFFAOYSA-N

ID: 75151

SMILES:
C1CC(C)=CC(c2cc(CCC(CCCC(C)CCCCCC)C)cc(O)c2)C1C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.756

CB1 binding score: -13.573

InChIKey:
LLWRPQMLSNPKNU-UHFFFAOYSA-N

ID: 75152

SMILES:
CCCCCc1cc(O)c2c(c1)oc1c(C(C)C)cc(O)c(C)c1cc2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.474

CB1 binding score: -15.4

InChIKey:
SBDYMWKPZJACPX-UHFFFAOYSA-N

ID: 75153

SMILES:
CC12CC(=O)C=C(C)C1CCc1c2c(O)cc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -13.878

InChIKey:
VGJUYQRJGDDMNX-UHFFFAOYSA-N

ID: 75154

SMILES:
C1C2=C(C)C(=O)OC23C2(CCC2C)C2(CO2)C1Oc1c(C(O)=O)c(CCCCC)cc(O)c13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.519

CB1 binding score: -14.965

InChIKey:
KDWQKHYERUVBCN-UHFFFAOYSA-N

ID: 75155

SMILES:
C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.442

InChIKey:
FRBSLGKYEBNHLH-UHFFFAOYSA-N

ID: 75156

SMILES:
C(OC1CC2(C)OCC(C)(CC1c1c3c(ccc1O)OC(C)(C)C1C3C=C(C)CC1)O2)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 654.644

CB1 binding score: -12.153

InChIKey:
LAGARDNCEOQCOT-UHFFFAOYSA-N

ID: 75157

SMILES:
c1(CCCC)c(C)cc2c(c1O)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.95

InChIKey:
VPGVROCEGAEZBE-UHFFFAOYSA-N

ID: 75158

SMILES:
Oc1cc(CCc2ccccc2)c2c(c1)OC(CCC=C(C)CCC=C(C)C)(C)C2C=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.604

CB1 binding score: -15.054

InChIKey:
ZPZUSRGRHKVBLC-UHFFFAOYSA-N

ID: 75159

SMILES:
c1c(CCC)cc(O)c(CC2C(C)(C)CCC=C2C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -16.719

InChIKey:
GTJYOQVSPAVDNC-UHFFFAOYSA-N

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75139–75159 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