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Molecule Identifiers
Molecular Properties

ID: 117475

SMILES:
c1(C(=O)C2(C)C(=O)C(CSCC=C(C)C)CC(C)=C2)c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.583

CB1 binding score: -15.929

InChIKey:
SRUAZYHXSZOYBF-UHFFFAOYSA-N

ID: 117476

SMILES:
c12c(CCOC)ccc(C)c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -13.124

InChIKey:
PNJNZMUOZBRJRF-UHFFFAOYSA-N

ID: 117477

SMILES:
c1(C=C(C=O)C)cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -11.763

InChIKey:
SCTAKVGQULIRDP-UHFFFAOYSA-N

ID: 117478

SMILES:
CC1C2CC(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.015

InChIKey:
BYHGAHHWPRFFDA-UHFFFAOYSA-N

ID: 117479

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -19.427

InChIKey:
VVBVATXKSUVSTB-UHFFFAOYSA-N

ID: 117480

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1(c3ccc(O)cc3)C(CC2)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.501

CB1 binding score: -15.415

InChIKey:
UDRIRGWVHWYFOF-UHFFFAOYSA-N

ID: 117481

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.298

InChIKey:
ALWCZTNAQUVJTB-UHFFFAOYSA-N

ID: 117482

SMILES:
C=C(C)C1C(c2c(O)cc(OC)cc2CC=C(CCC=C(C)C)C)C(=O)C=C1CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -16.988

InChIKey:
BWMTYECAMPJFGM-UHFFFAOYSA-N

ID: 117483

SMILES:
C1CC(C)=CC(c2c(O)cc(O)cc2C)C(=CC=CC(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -14.005

InChIKey:
UBMLETLUGXEPPS-UHFFFAOYSA-N

ID: 117484

SMILES:
C12C=C(C(C)C)CCC(C)(O)C(Oc3c(CCCCC)cc(O)c(C(=O)C(CC=C(C)C)=O)c31)C(O)CC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 540.741

CB1 binding score: -15.047

InChIKey:
DZHBNNKWMAABDB-UHFFFAOYSA-N

ID: 117485

SMILES:
C(CC(=CCc1c(O)c(C)cc2c1OC(C)(C)C=C2)C)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.4

InChIKey:
FDXZTNYCFHFEBV-UHFFFAOYSA-N

ID: 117486

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=CCCC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -18.356

InChIKey:
ZJPTYFKSUONYDF-UHFFFAOYSA-N

ID: 117487

SMILES:
c1(Cl)c2c(c(OC)cc1CCCCC)OC(C)(C)C1C(=O)CC(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.94

CB1 binding score: -12.417

InChIKey:
QJVDVRUMXLGXSV-UHFFFAOYSA-N

ID: 117488

SMILES:
C12C(C(C)(C)Oc3cc(CCC(O)=O)c(O)cc31)CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -16.015

InChIKey:
MXBRWHCZBDKQOB-UHFFFAOYSA-N

ID: 117489

SMILES:
C1(O)(C)C(O)C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -19.298

InChIKey:
TZGCTXUTNDNTTE-UHFFFAOYSA-N

ID: 117490

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.481

InChIKey:
LQHXJFGEESWHST-UHFFFAOYSA-N

ID: 117491

SMILES:
CC1(C)Oc2cc(CCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 117492

SMILES:
OCC1=CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.015

InChIKey:
SGKJCDMFEAYFSZ-UHFFFAOYSA-N

ID: 117493

SMILES:
c1(O)c2c(cc(CCC(C=CC(=O)OC)C)c1)OC1(C)CCC3(OC4(C)C(O3)C(O)C(C)C(C)(C)O4)CC21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.658

CB1 binding score: -13.662

InChIKey:
AQTSCMBQBQCGMS-UHFFFAOYSA-N

ID: 117494

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.365

InChIKey:
WIWAFAIVJYRCPO-UHFFFAOYSA-N

ID: 117495

SMILES:
CC(C=CC1OC(=O)C(CCCC(=O)C)=C1Cc1cc(O)cc(C)c1O)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.445

CB1 binding score: -13.411

InChIKey:
CZDABMCKFKNLEZ-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