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Molecule Identifiers
Molecular Properties

ID: 101389

SMILES:
O=C(c1cc2c(cc1)OC(C)(C)C1CCC(C)=CC12)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -19.478

InChIKey:
HNVKFYQXRFNXOU-UHFFFAOYSA-N

ID: 101390

SMILES:
c1cc(C2C=C(C)CCC2C(C)=C)c(OC)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -18.485

InChIKey:
BMJPTRNSXGGBRC-UHFFFAOYSA-N

ID: 101391

SMILES:
c1(O)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -19.859

InChIKey:
WRBRAMOWKIFTPD-UHFFFAOYSA-N

ID: 101392

SMILES:
C(C)Cc1cc(O)c(O)c(CC2C(C)(O)CCCC2(C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -16.472

InChIKey:
QDBGGDUSPVXFNY-UHFFFAOYSA-N

ID: 101393

SMILES:
C(CCc1cc2c(c(O)c1)CCC2=O)(CCC=C(CCC=C(C)COC(=O)C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -17.261

InChIKey:
CNGPBOZGLFYYKM-UHFFFAOYSA-N

ID: 101394

SMILES:
c1c(O)c(CC=C(CCC=C(C)C(O)=O)C)c(O)cc1CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.907

InChIKey:
MPYHTOIXCDQJOI-UHFFFAOYSA-N

ID: 101395

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CCC21)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.15

InChIKey:
FXRYFSBEEDYORZ-UHFFFAOYSA-N

ID: 101396

SMILES:
C(C)CCc1cc(O)c2c(c1)OC1C(C)CCC2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -13.699

InChIKey:
ISIRCUHTHCNRKB-UHFFFAOYSA-N

ID: 101397

SMILES:
C(c1cc(O)c2c(c1C=O)OC(C)(C)C1CCC(C)=CC12)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.895

InChIKey:
LJRPEALRNVLNAQ-UHFFFAOYSA-N

ID: 101398

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 101399

SMILES:
C(CCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 101400

SMILES:
CC1(Cl)C(C)(C)C2(C(=C)Br)C1CC1(C)C(=C2)C(C)=CC1c1c(O)cc(C(C(C)C)O)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 535.95

CB1 binding score: -12.271

InChIKey:
VIKXYIDULZAXDZ-UHFFFAOYSA-N

ID: 101401

SMILES:
OC1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.385

InChIKey:
YYLPAYRRVSQJRR-UHFFFAOYSA-N

ID: 101402

SMILES:
CC1(C)C2CCC(C(O)=O)=CC12c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -16.454

InChIKey:
UCGNOTXYVXUCBV-UHFFFAOYSA-N

ID: 101403

SMILES:
C12C(C(C(C)CC=C3OC3c3c(O)cc(C)cc3O)(C)O1)CC(C)=CC2OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.498

CB1 binding score: -16.081

InChIKey:
GDDIATYDEJKZAS-UHFFFAOYSA-N

ID: 101404

SMILES:
CC(O)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.861

InChIKey:
GZUKKKMBVDNCKG-UHFFFAOYSA-N

ID: 101405

SMILES:
C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 101406

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(=C)CCC1(C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -11.615

InChIKey:
FASWXWBQOSVGHH-UHFFFAOYSA-N

ID: 101407

SMILES:
c12c(c(C)cc(O)c1CCCCC)C1C(C(C)(C)O2)CCC(O)(C)C1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.537

CB1 binding score: -14.168

InChIKey:
XYAMDMFNIFPUBZ-UHFFFAOYSA-N

ID: 101408

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.039

InChIKey:
FHKFIACQYLZJAM-UHFFFAOYSA-N

ID: 101409

SMILES:
O=C1c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -19.037

InChIKey:
WOUJHLUSTPDGBC-UHFFFAOYSA-N

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101389–101409 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