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Molecule Identifiers
Molecular Properties

ID: 81460

SMILES:
c1(CCCCC)cc2cc3c(c(c1)O2)C1C(C)(CC(O)C(CO)(C)C1)O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.952

InChIKey:
HTVXEWQUQWLGCB-UHFFFAOYSA-N

ID: 81461

SMILES:
C12C(O)(c3c(cc(CCC)cc3O)O1)C(C)(C)CCC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -11.804

InChIKey:
FYURRQOSFZWJIK-UHFFFAOYSA-N

ID: 81462

SMILES:
OC(c1ccc2c(c1)OC(C)(C)C1C2CC(C(O)=O)=CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -14.408

InChIKey:
GYZQBSUANUTPJU-UHFFFAOYSA-N

ID: 81463

SMILES:
C(CCC)Cc1cc(O)c(CC2C(=C)CCC3C2(C)CCC(=O)C(C)(C)O3)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -13.78

InChIKey:
HZCFNWRYFFPPMC-UHFFFAOYSA-N

ID: 81464

SMILES:
O(CC=C(C)CC(C=C(CO)C)O)c1c(OC)cc(CCc2ccccc2)cc1OC(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.563

CB1 binding score: -10.372

InChIKey:
WNZYVPPIUBLLMN-UHFFFAOYSA-N

ID: 81465

SMILES:
C(CCC1(C)Oc2c(c(OC)cc(C)c2)C=C1)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.372

InChIKey:
VRVBUCRQGHWYCT-UHFFFAOYSA-N

ID: 81466

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 81467

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 81468

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1c2cc(C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -18.878

InChIKey:
GUXGXKFPIHIMLU-UHFFFAOYSA-N

ID: 81469

SMILES:
COc1c(CCCC)cc(O)c2c1OC(CCC=C(C)C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.053

InChIKey:
OMPCDCWPVSZAHY-UHFFFAOYSA-N

ID: 81470

SMILES:
Oc1c2c(cc(CCCC)c1O)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.711

InChIKey:
ILDRYBZXGNSJOG-UHFFFAOYSA-N

ID: 81471

SMILES:
C1c2c(cc(CCCCC)cc2O)OC(C)(CCCC(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Prenyl quinone meroterpenoids

MW: 318.501

CB1 binding score: -18.907

InChIKey:
QJUCRNMXBGLZBA-UHFFFAOYSA-N

ID: 81472

SMILES:
C(=O)(Oc1c2c(ccc1O)OC(C)(C)C1C2C=C(C)CCC1C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.167

InChIKey:
IWPYTAITFTZKRZ-UHFFFAOYSA-N

ID: 81473

SMILES:
CC(C1CCC(C)C2C1c1c(O)cc(CCCCC)cc1O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.059

InChIKey:
DFDPTHLLXVCMEU-UHFFFAOYSA-N

ID: 81474

SMILES:
O(C)c1c2c(c(C(=O)C(C)C)c(O)c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.218

InChIKey:
MCVVQEJULGVJSH-UHFFFAOYSA-N

ID: 81475

SMILES:
C1(CCC=C(C)C)(C)Oc2cc(CCCCC)ccc2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.334

InChIKey:
GKTLMTLABYYGES-UHFFFAOYSA-N

ID: 81476

SMILES:
C1C2(C)C(C1)C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 232.323

CB1 binding score: -19.945

InChIKey:
YYDLWMWJHKMZKN-UHFFFAOYSA-N

ID: 81477

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 81478

SMILES:
C1(=C)C(=O)C23C(O)C1c1c(cc(CCCCC)cc1O2)OC3(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -16.689

InChIKey:
OWYFSYPVQLZZOY-UHFFFAOYSA-N

ID: 81479

SMILES:
C(CCc1cc2c(c(O)c1)OC(C)(C)C1C2CC(C)(O)CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.816

InChIKey:
SRNLZHDHFBPBBL-UHFFFAOYSA-N

ID: 81480

SMILES:
C12C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.029

InChIKey:
HCVJHHUJBXZYBI-UHFFFAOYSA-N

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81460–81480 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