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Molecule Identifiers
Molecular Properties

ID: 124510

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 124511

SMILES:
C(C=C(CCC=C(C)C)C)c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 124512

SMILES:
C1(C)=CCC2(OC1c1c(O)cc(CCC)cc1O)C(C)CCC2C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.733

InChIKey:
BQKRDMDHJNRNKQ-UHFFFAOYSA-N

ID: 124513

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=C2C1CC(C)CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -16.736

InChIKey:
IPDAOSURDBEPIK-UHFFFAOYSA-N

ID: 124514

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(=C)C)CC=C(C)C1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -14.934

InChIKey:
MPAFZIVVAAQKFO-UHFFFAOYSA-N

ID: 124515

SMILES:
O1C2(CCC(C(C)=C)CC2)c2c(O)cc(CCC)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.488

InChIKey:
LTYBPPOPDAGXFI-UHFFFAOYSA-N

ID: 124516

SMILES:
O(C(c1cc2c(c(O)c1)OC(C)(C)C1CCC(C)=CC21)=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.499

InChIKey:
HLTLUPAQLMIBCZ-UHFFFAOYSA-N

ID: 124517

SMILES:
C(Oc1cc(C(OC)=O)c(OC(=O)C)cc1CC1(C)Oc2ccc(O)cc2CC1)CCCCCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 498.616

CB1 binding score: -12.705

InChIKey:
IRIZUZARTKGBGK-UHFFFAOYSA-N

ID: 124518

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.969

InChIKey:
NPPHBVFNDGBAJA-UHFFFAOYSA-N

ID: 124519

SMILES:
Oc1cc(CCCCC)cc2c1C1C=C(COC(=O)C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -19.773

InChIKey:
ILHSUWMZKIAMCQ-UHFFFAOYSA-N

ID: 124520

SMILES:
C1(C(C)(C)O)CCC(C)=CC1c1c(O)cc(C)c(CC=C(C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.348

InChIKey:
JETPDATUYLXFMA-UHFFFAOYSA-N

ID: 124521

SMILES:
C(C(O)CC(=CCCC(C)=O)C)C1(C)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -14.593

InChIKey:
KYCGPPXDHPLITE-UHFFFAOYSA-N

ID: 124522

SMILES:
C1(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -19.037

InChIKey:
WOUJHLUSTPDGBC-UHFFFAOYSA-N

ID: 124523

SMILES:
C(C=C(C)C)C12OC(CC1C(C)(C)O)C(C)=C1Oc3c(c(O)cc(C)c3)C(CC(O)(C)C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: -13.764

InChIKey:
XRSHLZSDFUDELT-UHFFFAOYSA-N

ID: 124524

SMILES:
c1(OCC=C(CCC=C(C)C)C)c(O)cc(CCCCC)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.761

InChIKey:
BUFVITAIZHNIDD-UHFFFAOYSA-N

ID: 124525

SMILES:
c1(CCCCCOC(CC(=O)OCCCCCCCC)C)cc(OC)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 542.801

CB1 binding score: -16.913

InChIKey:
JJMJZKOLICVWSE-UHFFFAOYSA-N

ID: 124526

SMILES:
CC1=CC2c3c(O)cc(CCCCC)cc3OC=C2C(=O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.382

CB1 binding score: -16.255

InChIKey:
LSBGJKDMCHJDOP-UHFFFAOYSA-N

ID: 124527

SMILES:
C(C)CCc1c(O)cc(O)c2c1OC(C)(C)C1CC=C(C)CC12O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -18.186

InChIKey:
ZEZIXKWBZUVKHM-UHFFFAOYSA-N

ID: 124528

SMILES:
C12CCC(C)=CC1c1c(cc(CCC)cc1O)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -14.616

InChIKey:
NVKYBRBJKWUFAJ-UHFFFAOYSA-N

ID: 124529

SMILES:
c1(CCC(=O)C)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.64

InChIKey:
NLNTYNQQFDNDTM-UHFFFAOYSA-N

ID: 124530

SMILES:
Oc1cc(CCCCC)cc2c1C1C(=C(C)C)C=CC(C)C1CCC(=C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -14.296

InChIKey:
FFECHVFVXQPHDJ-UHFFFAOYSA-N

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124510–124530 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