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Molecule Identifiers
Molecular Properties

ID: 105568

SMILES:
C(C)(=CCOc1c2c(cc3occc31)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.474

CB1 binding score: -14.87

InChIKey:
IRQKNEZJEJMGFO-UHFFFAOYSA-N

ID: 105569

SMILES:
Oc1c(CC=C(C)CCC=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: 105570

SMILES:
CC(O)(CCC=C(C)C)C1CCC(C(=O)O)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.612

CB1 binding score: -14.254

InChIKey:
MFMBUQKISIAATC-UHFFFAOYSA-N

ID: 105571

SMILES:
CC(CC(=O)c1c(CC2CCC3CC2C3(C)C)c(O)cc(C)c1)(O)CCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -15.468

InChIKey:
KQIQOAIOVGWMNT-UHFFFAOYSA-N

ID: 105572

SMILES:
CC(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.334

InChIKey:
VYJAUHGKLKGZJR-UHFFFAOYSA-N

ID: 105573

SMILES:
C(CCCC)Cc1cc2c(c(O)c1)C1C(C(C)(O)C)CCC(C)(O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.627

InChIKey:
WKVIRZJNKJVJOP-UHFFFAOYSA-N

ID: 105574

SMILES:
CC(=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: 105575

SMILES:
c1(O)c(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: 105576

SMILES:
c1(C)ccc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 105577

SMILES:
c1(C)cc2c(cc1)C(C)(C)Oc1cc(CCCCC)cc(O)c1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 105578

SMILES:
C1(C)=CC(c2c(C)cc(O)c(OC)c2)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.527

InChIKey:
ABPHQODQYTYRRD-UHFFFAOYSA-N

ID: 105579

SMILES:
Oc1c(C(=O)OC)ccc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -18.079

InChIKey:
AYVVBMDDEODWMD-UHFFFAOYSA-N

ID: 105580

SMILES:
O1c2c(c(O)cc(C)c2)C(C)C1(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.774

InChIKey:
NQQJCDOUMQUYST-UHFFFAOYSA-N

ID: 105581

SMILES:
C1c2cc(CCCCC)cc(O)c2CC1C(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -14.062

InChIKey:
BYMJMMFPZATAPY-UHFFFAOYSA-N

ID: 105582

SMILES:
c1(C(O)=O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -18.51

InChIKey:
ONTMVGJDPXZQKB-UHFFFAOYSA-N

ID: 105583

SMILES:
C1(O)(C)Cc2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -16.763

InChIKey:
UMBGXGFXRUDBDP-UHFFFAOYSA-N

ID: 105584

SMILES:
C12C3c4c(O)cc(CCCCC)cc4OC(C)(C)C3CCC(C)(O1)CCC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -14.54

InChIKey:
MZSZATIENVNPMP-UHFFFAOYSA-N

ID: 105585

SMILES:
CC(C)C1C(c2c(O)cc(CCC)cc2OC)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.172

InChIKey:
ZLMHDSKDPRIBDQ-UHFFFAOYSA-N

ID: 105586

SMILES:
C1(C)=CCC2C(C)(C)Oc3cc(CCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 105587

SMILES:
Oc1c(C(OC)=O)c2c(c(OC)c1CCCCC)OC(C)(C)C1C2CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.519

InChIKey:
JLCINHMVRKYOSJ-UHFFFAOYSA-N

ID: 105588

SMILES:
Clc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.78

CB1 binding score: -18.721

InChIKey:
BBJSROUQLWANSL-UHFFFAOYSA-N

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105568–105588 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