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Molecule Identifiers
Molecular Properties

ID: 137719

SMILES:
C(C)(C1=C2C(O)CC3(C)Oc4c(c(O)cc(C)c4)C4C3=C(C(=O)C2(CCCCC)C)CC1C4(CCC=C(C)CO)C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 574.802

CB1 binding score: -14.689

InChIKey:
NRYHZMMEEUEHQK-UHFFFAOYSA-N

ID: 137720

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.61

CB1 binding score: -16.339

InChIKey:
STMGNIOHMGYHFY-UHFFFAOYSA-N

ID: 137721

SMILES:
Oc1c(C(C)C)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.166

InChIKey:
HSUHKTGRIHGTSV-UHFFFAOYSA-N

ID: 137722

SMILES:
C(Oc1cc(O)c(C(=O)C(CC)C)c2c1C1C=C(C)CCC1C(C)(C)O2)c1ccc(OC)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.628

CB1 binding score: -16.285

InChIKey:
GEOOOGKZABCILP-UHFFFAOYSA-N

ID: 137723

SMILES:
C1CC(C)=C(c2c(O)cc(CCCCC)cc2O)C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -16.502

InChIKey:
UHPMPSULHUJTMV-UHFFFAOYSA-N

ID: 137724

SMILES:
c1(CC(C)CC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.529

InChIKey:
MHVVCCBHTCMRPJ-UHFFFAOYSA-N

ID: 137725

SMILES:
C1(CO)=CCc2c(c(O)cc(CCCCC)c2)C(C(CCC=C(C)C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.069

InChIKey:
MGOMYROCQXPSPB-UHFFFAOYSA-N

ID: 137726

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.903

InChIKey:
OXKCHLUJRCQRRH-UHFFFAOYSA-N

ID: 137727

SMILES:
C1(O)C(C)(C)Oc2c(c(O)cc(C)c2)C(CCC(O)=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.347

CB1 binding score: -16.874

InChIKey:
FDHZGKVLZOXCRW-UHFFFAOYSA-N

ID: 137728

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(O2)C(CCC=C(C)C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -16.015

InChIKey:
HGDLMISZQVVODE-UHFFFAOYSA-N

ID: 137729

SMILES:
CN(C)C1CC(C(C)=C)C2c3c(cc(CCCCC)cc3O)OC(C)(CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 385.592

CB1 binding score: -14.605

InChIKey:
HTKJIXJKQNJVBU-UHFFFAOYSA-N

ID: 137730

SMILES:
O=C1c2c(OC)cc(CCCCC)cc2OC2(C)C1C(C(C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.032

InChIKey:
KVZNNRVKIGTFPL-UHFFFAOYSA-N

ID: 137731

SMILES:
c1(Cc2c(O)c(C3C=C(C)CCC3C(C)=C)c(O)cc2O)cc(C)cc(OC)c1C(C(C)C(C)(C)O)OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 552.708

CB1 binding score: -15.732

InChIKey:
GDFOJPSEXDQDIY-UHFFFAOYSA-N

ID: 137732

SMILES:
C(CCc1c(O)c2c(c(O)c1)OC(C)(C)C1=C2CC(C)=CC1)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -12.999

InChIKey:
QVXARTVMDVMWEO-UHFFFAOYSA-N

ID: 137733

SMILES:
CC(=O)Oc1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.509

InChIKey:
AZBNCVLPZNEMEM-UHFFFAOYSA-N

ID: 137734

SMILES:
O(c1c(O)c(=O)c2c(O)cc(CCCCC)cc2OC1(C)C)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.412

CB1 binding score: -13.06

InChIKey:
JHWYFBBDYRRUGG-UHFFFAOYSA-N

ID: 137735

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 137736

SMILES:
CCCCCc1cc(O)c(C2C=C(C)CC(c3c(O)ccc(O)c3)C2(CC(=O)C)C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.591

CB1 binding score: -15.374

InChIKey:
WYMQIDWNSDFQGA-UHFFFAOYSA-N

ID: 137737

SMILES:
c1(OC)cc(OC)c(C2C(C(=C)C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.313

InChIKey:
UELGOYJTHIBECC-UHFFFAOYSA-N

ID: 137738

SMILES:
C(CCc1cc(O)cc2c1OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.058

InChIKey:
SYLMJTKDZIFVGB-UHFFFAOYSA-N

ID: 137739

SMILES:
CCCCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

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137719–137739 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