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Molecule Identifiers
Molecular Properties

ID: 63610

SMILES:
C(c1cc(O)c2c(c1)OC1(C)CC2C(O)(CC=C(C)C)C(C)(C)C(O)CC1)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -15.799

InChIKey:
XYFSAJCUKNTLTM-UHFFFAOYSA-N

ID: 63611

SMILES:
C1CC(C(C)=CCc2c(O)c(C)cc(O)c2)CC=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.608

InChIKey:
UWRBECZWNNFRIH-UHFFFAOYSA-N

ID: 63612

SMILES:
c12cc(CCCCC)cc3occ4c3C1(C)CCC(OC(=O)C)(C(C)(C)O2)O4

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -14.572

InChIKey:
DAIMUHWKKAGWOS-UHFFFAOYSA-N

ID: 63613

SMILES:
C1CC(C)=CC2c3c(cc(CCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 63614

SMILES:
O=C(OCC1=CC2C(CC1)C(C)(C)Oc1c2c(O)c(CC(=O)OC)c(C(=C)C)c1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.563

CB1 binding score: -13.356

InChIKey:
UDYDAQBVJJJDHY-UHFFFAOYSA-N

ID: 63615

SMILES:
C1C=C(C)CC(CC(C)=CCc2c(O)c(C)cc(OC)c2)OC(=O)C(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: Not available

InChIKey:
OXGBEXDMAKLCAO-UHFFFAOYSA-N

ID: 63616

SMILES:
C(Cc1cc(C2C=C(C)C(O)CC2C(=C)C)c(O)cc1O)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.823

InChIKey:
FSKSWZFXCRCRFK-UHFFFAOYSA-N

ID: 63617

SMILES:
C1c2c(cc(CCCCC)cc2O)OC2(C=CC(O)C(C)(C)O2)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -15.802

InChIKey:
NKMRXCMAZPOQDG-UHFFFAOYSA-N

ID: 63618

SMILES:
c1(O)c(C2C(C(C)=C)CC=C(C)C2)cc(CC=C)c(CCCCCCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.643

CB1 binding score: -14.519

InChIKey:
KQVMUZUHDYWOKK-UHFFFAOYSA-N

ID: 63619

SMILES:
c12cc(O)c(C3C=C(C)CCC3C(C)=C)cc1C(C(O)=O)CC(C)(CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -15.507

InChIKey:
VWJXYJNUSCAVJG-UHFFFAOYSA-N

ID: 63620

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.243

InChIKey:
LHCYQKVBWGENGV-UHFFFAOYSA-N

ID: 63621

SMILES:
C(C)CCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.903

InChIKey:
DQIJFJFAQLIKDN-UHFFFAOYSA-N

ID: 63622

SMILES:
C(C=C(C)C)CC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 63623

SMILES:
CC(CC)C(OCc1ccc(C2C(C(C)=C)CCC(C)=C2)c(OC)c1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -18.317

InChIKey:
TXJLVYDWEWFHAS-UHFFFAOYSA-N

ID: 63624

SMILES:
CC1Oc2c(c(O)cc(CCCCC)c2)C2C1C1OC(=C)C(O)(CCC=C(CO)CC2)C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: -15.489

InChIKey:
LJBMLOZKUDJGJB-UHFFFAOYSA-N

ID: 63625

SMILES:
c1(C)c(CCC(=CCc2cc(O)cc(C)c2O)C)CC(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.255

InChIKey:
JCDAONZHECVIRI-UHFFFAOYSA-N

ID: 63626

SMILES:
CC(C)=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 63627

SMILES:
c12cc(CCCCC)cc(O)c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 63628

SMILES:
C12c3c(O)cc(CCCCC)cc3OC3(OC1CC1C3(C)CCCC1(C)C)C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -16.502

InChIKey:
ZRZQFLNFWRANPU-UHFFFAOYSA-N

ID: 63629

SMILES:
CC(C)C(c1c(O)c2c(cc1OC)OC(c1c(OC)cc(O)c3c1OC(C)(C)C1C3C=C(C)CC1)C=C2C)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 534.649

CB1 binding score: -17.519

InChIKey:
WKBXRGDGZWKFGE-UHFFFAOYSA-N

ID: 63630

SMILES:
CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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63610–63630 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