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Molecule Identifiers
Molecular Properties

ID: 76336

SMILES:
C(CCCCCc1cc2c(c(O)c1)-c1c(ccc(C)c1)C(C)(C)O2)Cl

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.909

CB1 binding score: -16.521

InChIKey:
WHFFGUOCIGVTPF-UHFFFAOYSA-N

ID: 76337

SMILES:
C1(CO)CC2C(C(C)(C)Oc3c2c(O)cc(O)c3)C(C)CCC1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.428

CB1 binding score: -16.502

InChIKey:
ZVHAGOVANPQTBB-UHFFFAOYSA-N

ID: 76338

SMILES:
c12c(c(OC)cc(CCCCC)c1)C1=C(C(C)(C)O2)CCC(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.752

InChIKey:
OGYWTOWBLOTCHL-UHFFFAOYSA-N

ID: 76339

SMILES:
C12C(O)CCCC1COc1cc(CCCCC)cc(O)c12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -14.651

InChIKey:
UHQRADMZTFWRLA-UHFFFAOYSA-N

ID: 76340

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 76341

SMILES:
O1c2cc(CCCCC)cc3c2C2C(CC(C)C21)OC(C)(C)C1C3C(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.888

InChIKey:
GPHVFYFJKJVFQY-UHFFFAOYSA-N

ID: 76342

SMILES:
CC(=C)C1C(c2c(O)cc(O)c(C(CC(C)C)=O)c2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -19.167

InChIKey:
CFZLDEROOCUHHL-UHFFFAOYSA-N

ID: 76343

SMILES:
C1(C)=C2CCC(C)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.232

InChIKey:
UQLRFVUKFXPACJ-UHFFFAOYSA-N

ID: 76344

SMILES:
Oc1c2c(cc(CCCCC)c1C(=O)C1(C)C(C)=CCCC1C)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.69

CB1 binding score: -16.502

InChIKey:
AHPAFFXLHMSETD-UHFFFAOYSA-N

ID: 76345

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(C)C(=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 76346

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -19.427

InChIKey:
VVBVATXKSUVSTB-UHFFFAOYSA-N

ID: 76347

SMILES:
Cc1ccc2c3c1OC(C)(C)C1C(CC(C)=CC3)C1(C)C2OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -14.651

InChIKey:
LNHDXAJWJPMHDM-UHFFFAOYSA-N

ID: 76348

SMILES:
C(C1C(C)(C)Oc2cc(CCCCC)cc(O)c21)CC1(C)Oc2c(cc(O)cc2C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -15.415

InChIKey:
NOOIONMFLQQFBN-UHFFFAOYSA-N

ID: 76349

SMILES:
CC1=CC(c2c(O)cc(CCCCC)c(Cl)c2)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.915

CB1 binding score: -17.824

InChIKey:
ZLOVJYCPTLNIQV-UHFFFAOYSA-N

ID: 76350

SMILES:
Cc1cc(O)c(C(C)C)c2c1c(O)c1c(c2)OC(C)(C)C2C1CC(C)CC2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -15.789

InChIKey:
XOXTXMKHXLOJCX-UHFFFAOYSA-N

ID: 76351

SMILES:
C(Oc1c2c(cc(CCCCC)c1O)OC(C)(C)C1CCC(C)=CC21)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -13.159

InChIKey:
YVMZMJOYSQMMCX-UHFFFAOYSA-N

ID: 76352

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 76353

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 76354

SMILES:
CC1=CC2C(CCC3(C)Oc4c(c(O)cc(C)c4)C=C32)C(C)(C=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.475

CB1 binding score: -14.13

InChIKey:
FBBBWWHXZVSDMQ-UHFFFAOYSA-N

ID: 76355

SMILES:
C(C)(C)CCCc1cc2c(c(O)c1C=O)OC(C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -13.263

InChIKey:
QFTRMZKPLPAHKX-UHFFFAOYSA-N

ID: 76356

SMILES:
C=C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

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76336–76356 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