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Molecule Identifiers
Molecular Properties

ID: 102502

SMILES:
C(c1cc(O)c2c(c1)C(C(C)C)CC(=O)C2(O)C)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.987

InChIKey:
DPKZWBUSZGNDLI-UHFFFAOYSA-N

ID: 102503

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 102504

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 102505

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)=CC=CC(C)(C)OO)CC=C1C1C(CC(C(C)=O)O1)C=C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.683

CB1 binding score: -14.309

InChIKey:
IDJQJLFUTBHVMT-UHFFFAOYSA-N

ID: 102506

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 102507

SMILES:
C1=C(C)C(O)CC2C(C)(C)Oc3c(c(CCCCC)c(C(=O)O)c(C)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.369

InChIKey:
XJOYYAOMSFIEOR-UHFFFAOYSA-N

ID: 102508

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 102509

SMILES:
c1(CCO)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -18.895

InChIKey:
WRSNRVHDZISMMS-UHFFFAOYSA-N

ID: 102510

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1(CC3C(C(=C)C)CCC(C)(O)C3CCC1C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -12.455

InChIKey:
VXFPNKXSVNFSJP-UHFFFAOYSA-N

ID: 102511

SMILES:
C(CCCCc1cc2c(c(O)c1)C1=C(CC2C)C(C)(C)OC1=O)C(C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.929

InChIKey:
LONJEWUJVCEUEB-UHFFFAOYSA-N

ID: 102512

SMILES:
C12C(C(C)C)CC(C)(C(=O)O)CC1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.563

InChIKey:
FPLWJWFDRAXECA-UHFFFAOYSA-N

ID: 102513

SMILES:
C1C=C(C)CC(c2c(O)cc(CCCCC)cc2OC)C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.147

InChIKey:
DFVSPDQRMLXUTH-UHFFFAOYSA-N

ID: 102514

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C(=C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
KKGGNLGHOSMNOH-UHFFFAOYSA-N

ID: 102515

SMILES:
CC(C)=CCCC(C)(O)C=Cc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.588

InChIKey:
RADFVDCYRSRYKU-UHFFFAOYSA-N

ID: 102516

SMILES:
c1(O)c(C)cc(O)cc1CC=C(CCC1(C)C(C)CCC(=O)C(C)(C)O1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -11.239

InChIKey:
WVGKIXDPYYECBT-UHFFFAOYSA-N

ID: 102517

SMILES:
C(C)(C(=C)CC1C=C(C)CCC1C(C)=C)C(Br)Cc1cc(OC)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 433.43

CB1 binding score: -14.605

InChIKey:
NTDHDYQYFAXGRX-UHFFFAOYSA-N

ID: 102518

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 102519

SMILES:
C1CC(C(C)=C)C2c3c(cc(CCCCC)cc3O)OC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.479

InChIKey:
QFXVVLMSNANAAV-UHFFFAOYSA-N

ID: 102520

SMILES:
CC(C1=CC2(c3c(O)cc(CCC)cc3OC2(C)C)CC1=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.084

InChIKey:
DPBQKMQMRCVYDA-UHFFFAOYSA-N

ID: 102521

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 102522

SMILES:
C(=Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -17.329

InChIKey:
UXMYALNHHLVVAU-UHFFFAOYSA-N

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102502–102522 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