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Molecule Identifiers
Molecular Properties

ID: 51514

SMILES:
C1(C)(O)CCC(C(=C)C)C(c2c(O)cc(CCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -16.716

InChIKey:
FNAIYGCHNIBMAR-UHFFFAOYSA-N

ID: 51515

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 51516

SMILES:
CC1(O)CCC2(O)c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -14.19

InChIKey:
IZVYRBFXEHUVSY-UHFFFAOYSA-N

ID: 51517

SMILES:
C1C2C(c3c(cc(CCC)cc3O)OC2(C)C)CC2C(C)(C1)C(C)CCC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -16.457

InChIKey:
DAQXBTAREMDRBU-UHFFFAOYSA-N

ID: 51518

SMILES:
c1(CCCCC)cc(OC(C)=O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -18.767

InChIKey:
OGCCABVUOZBTQV-UHFFFAOYSA-N

ID: 51519

SMILES:
O1C(CC(=CCc2c(O)c(C)cc(OC)c2)C)CC(O)(C)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -14.696

InChIKey:
FZNWRDCHHMHDMR-UHFFFAOYSA-N

ID: 51520

SMILES:
C1(C(C)=C)CC23c4c(O)cc(CCCCC)cc4OC2(C)CC3C(=C)CCC=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.664

CB1 binding score: -16.098

InChIKey:
VTUYIRYPGSRYJW-UHFFFAOYSA-N

ID: 51521

SMILES:
C(CCc1cc(OC)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 51522

SMILES:
c1(C)c(O)c(CCCC)cc(O)c1-c1c(C)ccc2c1OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -15.272

InChIKey:
XHZAHQCNIBOKNA-UHFFFAOYSA-N

ID: 51523

SMILES:
C(=C(C)C)CCc1cc(O)c(C2C=C(C)CCC2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -15.82

InChIKey:
ZIDLNVLCQAXIDS-UHFFFAOYSA-N

ID: 51524

SMILES:
C(O)C1(C)C2C(c3c(cc(CCCCC)c(C=O)c3O)O1)CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.711

InChIKey:
OLGWWQLFPMYFLC-UHFFFAOYSA-N

ID: 51525

SMILES:
C(C=C(C)C1C(c2c(O)cc(C)cc2O)C=C(C)CC1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.643

InChIKey:
HWGARHMEZOGOTL-UHFFFAOYSA-N

ID: 51526

SMILES:
C(=C(C)CCC=C(C)C)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.313

InChIKey:
RZTPKEWZQHLMRT-UHFFFAOYSA-N

ID: 51527

SMILES:
CCCCCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 51528

SMILES:
C(C1(C)Oc2cc(CCCCC)cc(O)c2C=C1)=CC=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.758

InChIKey:
IMOQHDXEXYQZLQ-UHFFFAOYSA-N

ID: 51529

SMILES:
C(CCNC(=O)c1ccccc1)Cc1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 403.566

CB1 binding score: -15.578

InChIKey:
HBYLAPUNDVBKFZ-UHFFFAOYSA-N

ID: 51530

SMILES:
CCCCc1cc2c(c(O)c1)C1C(O)C(C)(C)OC21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -16.605

InChIKey:
CHLQRFPUVJJLLT-UHFFFAOYSA-N

ID: 51531

SMILES:
COc1c(CCCC)cc2c(c1O)OC(C)(C)C1C2CC(C)(O)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -14.829

InChIKey:
HMHLQSAMLYCXFN-UHFFFAOYSA-N

ID: 51532

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1)(O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -17.121

InChIKey:
VPIPRPZRLBKHAK-UHFFFAOYSA-N

ID: 51533

SMILES:
C1(C)=CC2C(C)(C)Oc3ccc(OC)cc3C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -15.06

InChIKey:
NKENZLBYKLLKEL-UHFFFAOYSA-N

ID: 51534

SMILES:
CC(C)(O)CCc1c2c(ccc1O)OC(C)(C)C1C2CC(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.701

InChIKey:
GOLCEJZWFGXNDT-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties