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Molecule Identifiers
Molecular Properties

ID: 75706

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 75707

SMILES:
c1(O)c2c(cc(CCCCCO)c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.543

InChIKey:
LEEZXAPCNUQRME-UHFFFAOYSA-N

ID: 75708

SMILES:
Oc1c(C2C=C(C)CCC2C(C)=C)c(OC)cc2c1CC(C(C)(C)O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.009

InChIKey:
YAQJGXLBIWHGPT-UHFFFAOYSA-N

ID: 75709

SMILES:
Oc1c(CC=C(C)C)c(OC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -15.116

InChIKey:
OUVLLJUFZWCSCA-UHFFFAOYSA-N

ID: 75710

SMILES:
CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.941

InChIKey:
SAHDDDAWSDVILU-UHFFFAOYSA-N

ID: 75711

SMILES:
c12cc(O)cc(CCCCC)c1c(O)cc(O)c2CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -15.632

InChIKey:
YPWKYMKJMWMTCL-UHFFFAOYSA-N

ID: 75712

SMILES:
C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 75713

SMILES:
C(=CCCC(=CCc1c(O)cc2c(c1OC)OC(C)(C)C1C2CC(C)CC1)C)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -15.078

InChIKey:
SFWFHLXSAKTNHU-UHFFFAOYSA-N

ID: 75714

SMILES:
CC(=O)CCC1C(C)(C)Oc2ccc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -16.351

InChIKey:
MZOZUEVYOJFQDU-UHFFFAOYSA-N

ID: 75715

SMILES:
C1CC(C)CC2Oc3c(c(O)cc(CCCCC)c3)C2C1C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -13.445

InChIKey:
QLIORBFLRICGDS-UHFFFAOYSA-N

ID: 75716

SMILES:
Oc1c(O)ccc(-c2cc(CCCCC)cc3c2OC(C)(C)C2CCC(C)(O)C(C2)C3C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.635

CB1 binding score: -16.501

InChIKey:
YAEMHXPLHPDKLO-UHFFFAOYSA-N

ID: 75717

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1OC1C(O)C(O)C(O)C(CO)O1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.507

CB1 binding score: -17.229

InChIKey:
DEJBVDPQQDKBBA-UHFFFAOYSA-N

ID: 75718

SMILES:
C12C(O)C(C(C)C)CCC1(C)Oc1c(c(OC)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -13.255

InChIKey:
JBRSQGQWAYLKCO-UHFFFAOYSA-N

ID: 75719

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.841

InChIKey:
UKPNRAMYBFBWKV-UHFFFAOYSA-N

ID: 75720

SMILES:
c1(CCCCC)cc2c3c(c1O)OC(C)(C)C1CC3C(C)(O2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.472

InChIKey:
DEHXVSPYQHHDBN-UHFFFAOYSA-N

ID: 75721

SMILES:
Cc1ccc2c(c1)C(C)(C)Oc1cc(CCCCC)ccc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.438

CB1 binding score: -15.958

InChIKey:
VDDJKLCUYRNOOP-UHFFFAOYSA-N

ID: 75722

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2cc(O)c(C)c(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -16.624

InChIKey:
SQTHMTWVGPHNRJ-UHFFFAOYSA-N

ID: 75723

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 75724

SMILES:
O(C(C1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.943

InChIKey:
CCMWHLPOQSRJEP-UHFFFAOYSA-N

ID: 75725

SMILES:
C1(OC(=O)C)C(C)=C2c3c(cc(CCCCC)cc3O)OC(C)(C2CC(C)O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -14.652

InChIKey:
FQVQHEQGDIVZNE-UHFFFAOYSA-N

ID: 75726

SMILES:
C12c3c(O)cc(CCC)cc3OC(C)(C)C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

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75706–75726 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