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Molecule Identifiers
Molecular Properties

ID: 10774

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 10775

SMILES:
C12C(c3c(cc(C)cc3O)OC1(C)C)C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -18.57

InChIKey:
JWVNDMUNWMFDDK-UHFFFAOYSA-N

ID: 10776

SMILES:
C1=CC2C(C)(C)Oc3cc(CCCCC)cc3c2C2C1(C)CCC2C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.573

CB1 binding score: -15.365

InChIKey:
FGLXKONRWQHMTL-UHFFFAOYSA-N

ID: 10777

SMILES:
c1(CCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.509

InChIKey:
XAJXLANJASZEBB-UHFFFAOYSA-N

ID: 10778

SMILES:
c1(OC)c2c(c(C=O)c(O)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -18.537

InChIKey:
UTKZYUBUUBDCAN-UHFFFAOYSA-N

ID: 10779

SMILES:
c1(CC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -16.457

InChIKey:
DWPSRBAVDVANAM-UHFFFAOYSA-N

ID: 10780

SMILES:
c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.63

InChIKey:
LAYHJCJKKWVWTP-UHFFFAOYSA-N

ID: 10781

SMILES:
CCCCCCCCCCCCCc1cc(C2CC(=CCl)C(O)CC(C(=C)C)C2)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 475.157

CB1 binding score: -9.576

InChIKey:
DXGJLEGIFDXQDN-UHFFFAOYSA-N

ID: 10782

SMILES:
Cc1c(CCCCCC)cc(O)c(C2C=C(C)CCC2C(CCC=C(C)C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.642

CB1 binding score: -13.712

InChIKey:
URTJNQMCSNTKLY-UHFFFAOYSA-N

ID: 10783

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.265

InChIKey:
KTPDAZGMXXWSMU-UHFFFAOYSA-N

ID: 10784

SMILES:
C(c1cc(O)c2c(c1)C1CC(=C)CCC1C(C)(C)O2)(COC(=O)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.053

InChIKey:
ZWJUOWRWHARVHD-UHFFFAOYSA-N

ID: 10785

SMILES:
CCC=CCc1cc(O)c(C2C=C(C)C(O)CC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.066

InChIKey:
SAKHHDJHQDGZDY-UHFFFAOYSA-N

ID: 10786

SMILES:
CC1C(OC)C2=C(C(C)(C)Oc3c2c(OC)cc(CCCCC)c3O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -12.219

InChIKey:
UNCMHNCGONQOOL-UHFFFAOYSA-N

ID: 10787

SMILES:
CC(C1(O)OCC2OC13Oc1c(c(O)cc(CCCCC)c1)C3C=C(C)C2C)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -15.546

InChIKey:
MBWIUERHOFKBLV-UHFFFAOYSA-N

ID: 10788

SMILES:
CCCCCc1cc2c(c(O)c1)C1OC(=O)C(C)=C1CC1OC21C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -16.649

InChIKey:
KMVXECYRSXQVRP-UHFFFAOYSA-N

ID: 10789

SMILES:
c1c(C)cc2c(c1)C(C)(C)Oc1cc(C(C)(OC)C)cc(CC=C)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.475

CB1 binding score: -15.652

InChIKey:
VZOWIZFZNMMJMF-UHFFFAOYSA-N

ID: 10790

SMILES:
CCCCCCc1cc2c(c(O)c1)C1C=C(C)CC(C)(CCCC(C)=CC(C)O1)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -12.686

InChIKey:
XLNQYGUAGOMJAL-UHFFFAOYSA-N

ID: 10791

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C=C(COC(C)=O)CCC1(C)OCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -12.205

InChIKey:
ZPUYDQSHXVYHIS-UHFFFAOYSA-N

ID: 10792

SMILES:
C(=CCc1cc(O)cc(CCc2ccccc2)c1O)=C(CCC=C(CCC=C(C)C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.632

CB1 binding score: -16.272

InChIKey:
AXZMFXCLTMXQSY-UHFFFAOYSA-N

ID: 10793

SMILES:
CCCCCc1c2c(c(C)cc1O)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: Not available

InChIKey:
SDNZJQQTQCOATA-UHFFFAOYSA-N

ID: 10794

SMILES:
C1(C)CC2Cc3c(O)cc(CCCCC)cc3OC(C)(CC1)C2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.386

InChIKey:
LLCMJWWSVXIHKX-UHFFFAOYSA-N

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10774–10794 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