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Molecule Identifiers
Molecular Properties

ID: 115312

SMILES:
CC(C)(C(O)C=CC1(C)OC(=O)C23CC=C(CCC=C(C)C)CC2CC(=O)C(C)=C31)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -15.96

InChIKey:
PUWTWTVUZQSXAD-UHFFFAOYSA-N

ID: 115313

SMILES:
CC(C)=CCCC(C)=CCc1c(O)c2c(cc1C)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Prenyl quinone meroterpenoids

MW: 394.599

CB1 binding score: -17.48

InChIKey:
LTVYKVNODZFYBG-UHFFFAOYSA-N

ID: 115314

SMILES:
C(CC)Cc1c(O)c(CC=C(C)C)c(O)c2c1OC1(CCCC(C)(C)C1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -13.444

InChIKey:
NWLMAUZFBKWPJA-UHFFFAOYSA-N

ID: 115315

SMILES:
C1(=C(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.089

InChIKey:
MXHIJQHAYHJSTF-UHFFFAOYSA-N

ID: 115316

SMILES:
C1C(C)C(=O)CCC(C(c2cc(O)c(CC=C(CCC=C(C)C)C)cc2O)C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: Not available

InChIKey:
KBGKJMQAHDVNHX-UHFFFAOYSA-N

ID: 115317

SMILES:
c1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -20.718

InChIKey:
RGRVRWPXYHVOQC-UHFFFAOYSA-N

ID: 115318

SMILES:
C(C)(=CCc1c(O)cc(CCCCC)cc1OC)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 115319

SMILES:
c1(O)cc(CCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 115320

SMILES:
c1(CCCCC)cc2c(c(O)c1)OC(C)(C)C=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -17.934

InChIKey:
SIKFDXUFVYCZGK-UHFFFAOYSA-N

ID: 115321

SMILES:
c1c(CCCCC)cc(O)c2c1OC(C)(C)C1CCC(C=O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.958

InChIKey:
WJMYTTKWYWYOIO-UHFFFAOYSA-N

ID: 115322

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C1C(C(C)C)CCC(=C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -14.131

InChIKey:
SYVBHHCRCOGYCE-UHFFFAOYSA-N

ID: 115323

SMILES:
Oc1c2c(c(O)c(CCC)c1)OC(C)(C)C1C2C(OC(=O)C(=CC)C)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -16.258

InChIKey:
BFRRZYBHOYDNHM-UHFFFAOYSA-N

ID: 115324

SMILES:
C(Cc1c(OC)c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.482

InChIKey:
CIDQYVCFMPFXCM-UHFFFAOYSA-N

ID: 115325

SMILES:
C(CC)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 115326

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 115327

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -17.461

InChIKey:
NFEIBBFOKOLGJC-UHFFFAOYSA-N

ID: 115328

SMILES:
C(C(Cc1c(O)c2c(cc1OC)OC(C)(C)C1C2C=C(C)CC1)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.594

InChIKey:
QMNZBCGPFWPTDK-UHFFFAOYSA-N

ID: 115329

SMILES:
C(CCc1cc(OC)c(CC2C(=C)CCC(O)C2(C)C)c(O)c1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -16.502

InChIKey:
AOBJKWZDVITYKV-UHFFFAOYSA-N

ID: 115330

SMILES:
CC1(C)Oc2cc(CCCCC)cc(OC)c2C(c2cc(CCC=C(C)C)c(C)cc2O)=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.674

CB1 binding score: -14.756

InChIKey:
MGGRXDPDIIOUJQ-UHFFFAOYSA-N

ID: 115331

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -17.989

InChIKey:
ZTZGBEZKXBIYDU-UHFFFAOYSA-N

ID: 115332

SMILES:
C1(C)(CO)C2C(c3c1c(O)cc(CCCCC)c3)C=C(C=O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.744

InChIKey:
NFTZJGOYSNUSHE-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties