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Molecule Identifiers
Molecular Properties

ID: 102775

SMILES:
C(c1c(CC=C(C)C)cc(CCCCC)c(C2Oc3c(c(O)cc(CCCCC)c3)CC(CC=C(C)CO)C2(C)C)c1)(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 604.872

CB1 binding score: -14.549

InChIKey:
VORYKIHYLXYOOQ-UHFFFAOYSA-N

ID: 102776

SMILES:
c12ccc(OC)c(OC)c1C(=O)c1c(O)cc(CCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.418

CB1 binding score: -14.242

InChIKey:
OWXNUSVSTCNTBT-UHFFFAOYSA-N

ID: 102777

SMILES:
C1(C(C)=C)C(c2cc(CCCCCC)ccc2O)C=C(CCC=C(C)C)CC1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.735

CB1 binding score: -15.116

InChIKey:
MSRMUZWTGMSFGL-UHFFFAOYSA-N

ID: 102778

SMILES:
O(CCCc1cc2c(c(O)c1)OC(C)(C)C1CCC(C)=CC12)C(c1cc(O)c(O)cc1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.52

CB1 binding score: -16.436

InChIKey:
VYNVSACFUWMINL-UHFFFAOYSA-N

ID: 102779

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 357.538

CB1 binding score: -13.031

InChIKey:
DMQBBTVMQDFZCE-UHFFFAOYSA-N

ID: 102780

SMILES:
C1CC2(C)C(C(OC(C)=O)c3c(O)cc(CCCCC)cc32)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.012

InChIKey:
BFNWTYJCMHHCKT-UHFFFAOYSA-N

ID: 102781

SMILES:
C1=C(C)C2C3(C1)N(CCCCC(C)C)CCC(CC(C)CCCC)=CC2C3=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 385.636

CB1 binding score: -15.712

InChIKey:
OCFKSCKWOUWBIM-UHFFFAOYSA-N

ID: 102782

SMILES:
C1=CC(C)(C)Oc2ccc(CCCCC)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.351

CB1 binding score: -18.42

InChIKey:
HRPQXGKXIKLDMZ-UHFFFAOYSA-N

ID: 102783

SMILES:
C(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)(CCC=C(C)CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 428.613

CB1 binding score: -18.353

InChIKey:
QNRJPRFPLQBROG-UHFFFAOYSA-N

ID: 102784

SMILES:
Oc1c(O)cc(CC)c2c1OC(C)(CCC=C(C)C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.423

InChIKey:
HACWSNAVXVEIPM-UHFFFAOYSA-N

ID: 102785

SMILES:
c1(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 102786

SMILES:
CC1(C)Oc2cc(C)c(O)cc2C2C=C(C)C(=O)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 272.344

CB1 binding score: -17.952

InChIKey:
CLFHOLPMPFYSHV-UHFFFAOYSA-N

ID: 102787

SMILES:
c12c(cc(OC)c(C)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.84

InChIKey:
ZXRSHEJEBYIBKK-UHFFFAOYSA-N

ID: 102788

SMILES:
c1(CCCCC)c(C2C(CCS)C(O)(C)CCC2C(C)=C)c(O)cc(CCCC(=O)O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.696

CB1 binding score: -16.811

InChIKey:
YJBDQJJKVXBEDY-UHFFFAOYSA-N

ID: 102789

SMILES:
c12c(c(O)cc(C)c1)C(CC1(C)CCC=C(C)C1(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -14.411

InChIKey:
CYGLANXTHOSHOA-UHFFFAOYSA-N

ID: 102790

SMILES:
C1(=C)CCC2C(c3c(cc(CCCCCC)cc3O)O2)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.522

InChIKey:
LLXWNLVNJHINOI-UHFFFAOYSA-N

ID: 102791

SMILES:
C1CC(C(C)=C)C(c2c1c(CCCCC)ccc2OC(CCCCC)=O)CC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -13.636

InChIKey:
IHPCLYPXWLNWCO-UHFFFAOYSA-N

ID: 102792

SMILES:
CC1(C)Oc2c(c(OC)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 102793

SMILES:
Oc1ccc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -18.541

InChIKey:
DXDRGIVLXHOGHC-UHFFFAOYSA-N

ID: 102794

SMILES:
c1(O)cc(O)c2c(c1CC=C(CCCC(C)(O)C)C)-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.661

CB1 binding score: -14.235

InChIKey:
RMQDLCZJDNGESZ-UHFFFAOYSA-N

ID: 102795

SMILES:
Oc1cc(C)cc2c1C1C(C(C)(C)O2)[CH]CC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 257.353

CB1 binding score: -12.381

InChIKey:
BPLXPBRFMPJEMJ-UHFFFAOYSA-N

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102775–102795 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