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Molecule Identifiers
Molecular Properties

ID: 121759

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1CC(C(O)=O)CC(=O)C1(O)CC(C(=C)C)CC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -16.234

InChIKey:
OYUXFVYWCMZWSZ-UHFFFAOYSA-N

ID: 121760

SMILES:
C1(c2c(O)c(C)cc(OC)c2O)C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.421

InChIKey:
BSLYIPABQGCVSX-UHFFFAOYSA-N

ID: 121761

SMILES:
CC(c1c2c(c(O)cc1)C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.455

InChIKey:
RMNZBBOSEWAEAP-UHFFFAOYSA-N

ID: 121762

SMILES:
O=C(Oc1c(OC(=O)C)c2c(cc1CCCCC)OC(C)(C)C1CC=C(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -13.122

InChIKey:
JEVHWKVKJLVKTH-UHFFFAOYSA-N

ID: 121763

SMILES:
O(c1c2c(cc(C(C)C(O)=O)c1)OC(C)(C)C1CC=C(C)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.087

InChIKey:
UFBQZGOBJFHIDF-UHFFFAOYSA-N

ID: 121764

SMILES:
C1(C)CCC(C(C)(C)O)C(c2c(O)cc(CCC)cc2O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -18.587

InChIKey:
KPBJTVIGTRQSAX-UHFFFAOYSA-N

ID: 121765

SMILES:
C(C=C(C)C)C=C(C)C1Cc2c(O)cc(CCC)cc2OC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: Not available

InChIKey:
YKQBOJJTMLAYMM-UHFFFAOYSA-N

ID: 121766

SMILES:
C(Oc1c(C)cc2c(c1)C(C)(C)Oc1c-2cc(CCCCC)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -12.074

InChIKey:
PFUQIXHSMVOBME-UHFFFAOYSA-N

ID: 121767

SMILES:
C1(OC)=CC2(C=CCC3(C)C2c2c(O)cc(C)cc2O3)C(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -15.302

InChIKey:
CGFZOOBOMWJKPW-UHFFFAOYSA-N

ID: 121768

SMILES:
C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -19.22

InChIKey:
AHKIGVNVQSVNEP-UHFFFAOYSA-N

ID: 121769

SMILES:
c1(O)cc(O)c(C2C=C(C)CCC2C(C)=C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.171

InChIKey:
HFDMGJLGHZDMNB-UHFFFAOYSA-N

ID: 121770

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C(OC(=O)C)C(O)(COCC)C(C1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.573

CB1 binding score: -13.699

InChIKey:
YMOUZNGIXXQKNQ-UHFFFAOYSA-N

ID: 121771

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -16.933

InChIKey:
SGHGPJLSGLEPFL-UHFFFAOYSA-N

ID: 121772

SMILES:
C1CC2C(C)(Oc3cc(C)c(CCCCCCC)cc31)CCC2C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.578

CB1 binding score: -14.747

InChIKey:
AQYLTIMWXHJUIV-UHFFFAOYSA-N

ID: 121773

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.053

InChIKey:
HQRKNUDGMPVIMO-UHFFFAOYSA-N

ID: 121774

SMILES:
Oc1c(C2C(C(C)=C)C(C)=CCC2)c(O)cc(CCCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -12.209

InChIKey:
JJQOUPNQUNLMCF-UHFFFAOYSA-N

ID: 121775

SMILES:
c12c(C(=O)OC)cc(CCCCC)cc1OC(C)(C)C1CC=C(CO)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -13.944

InChIKey:
GRJSVKBFEQCFJH-UHFFFAOYSA-N

ID: 121776

SMILES:
C1C2C(=CC(=O)C1C)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.611

InChIKey:
UZBABWDLJQUNCM-UHFFFAOYSA-N

ID: 121777

SMILES:
CC(=O)CCCc1cc2c(c(O)c1)CC1C(C)(C(O)C=CC1(O)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -14.479

InChIKey:
RUJDIAAYHHDCSU-UHFFFAOYSA-N

ID: 121778

SMILES:
CC1(C)OC(C)(C)C=Cc2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.929

InChIKey:
UNXDTVYRSMKDPA-UHFFFAOYSA-N

ID: 121779

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

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121759–121779 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