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Molecule Identifiers
Molecular Properties

ID: 58633

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 58634

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.626

CB1 binding score: -15.732

InChIKey:
MQEFSUHHOLLCAA-UHFFFAOYSA-N

ID: 58635

SMILES:
C(C)CCCc1cc2c(c(O)c1C)OC(C)(C)C1C2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -16.472

InChIKey:
SSOXSNRLCOWIIG-UHFFFAOYSA-N

ID: 58636

SMILES:
C1C=C(C)C(Cc2c(O)cc(CCCCC)cc2O)CC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.784

InChIKey:
LDYABHYBUNULIK-UHFFFAOYSA-N

ID: 58637

SMILES:
c12c(cc(CCCCCC)cc1O)OC(C)(C)C1CCC(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.792

InChIKey:
DUCPENNZPXXAKC-UHFFFAOYSA-N

ID: 58638

SMILES:
O=C(C)OC1(C)C=C2C(CC1)C(C)(C)Oc1c2c(OC)cc(CCCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -16.428

InChIKey:
CPIFCMHGNTVPTD-UHFFFAOYSA-N

ID: 58639

SMILES:
CC(=CCC(=C)C(C)CCC(C(Cc1c[nH]c([N+](O)=O)c1)O)Oc1cc(CCCCC)cc2c1OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 633.894

CB1 binding score: -12.209

InChIKey:
QRZYUALBKWBFFT-UHFFFAOYSA-N

ID: 58640

SMILES:
C(C)(=O)OC1C2(C)c3c(O)cc(CCCCC)cc3OC(C)(C)C2CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -16.557

InChIKey:
VXXZRCRLKCHMGO-UHFFFAOYSA-N

ID: 58641

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 58642

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O2)o1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.078

InChIKey:
YZQTVMSDGCKDQL-UHFFFAOYSA-N

ID: 58643

SMILES:
CC(CCC=C(C)C)=CCCC(=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -19.427

InChIKey:
VVBVATXKSUVSTB-UHFFFAOYSA-N

ID: 58644

SMILES:
C(CC=C(C)C)C(=CCc1c(O)cc(O)cc1CCCCC)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -13.743

InChIKey:
VGZOPXMNDKTDKH-UHFFFAOYSA-N

ID: 58645

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 58646

SMILES:
C=C(C)C1CC=C(C)CC1c1c(O)cc(CCCCCO)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.244

InChIKey:
PKMOAJVDILUOPD-UHFFFAOYSA-N

ID: 58647

SMILES:
Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 58648

SMILES:
C1=C(C)CCC(C(=C)C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 58649

SMILES:
c1(CCC)cc(OC)cc2c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -11.945

InChIKey:
OEVQZEFANWRSQK-UHFFFAOYSA-N

ID: 58650

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1OC1CC(C)=CC(=O)C2)(=O)OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.406

CB1 binding score: Not available

InChIKey:
GYDXTBICBWCYOM-UHFFFAOYSA-N

ID: 58651

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 58652

SMILES:
C1(CC)c2c(cccc2)OC(C)(C)C(OC(=O)C(CCC)C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.702

InChIKey:
ZZKUXAGVQRQIIM-UHFFFAOYSA-N

ID: 58653

SMILES:
C(Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(OC)c1)CN(CCO)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 375.553

CB1 binding score: -16.502

InChIKey:
MWHJFKTVMGCILX-UHFFFAOYSA-N

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58633–58653 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