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Molecule Identifiers
Molecular Properties

ID: 103615

SMILES:
c12c(cc(CCCCC)cc1O)C(C)(C)C1CCC(=C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -15.056

InChIKey:
MVDXGIVHLMHUQV-UHFFFAOYSA-N

ID: 103616

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -14.605

InChIKey:
YUCJVFNOPUKQLY-UHFFFAOYSA-N

ID: 103617

SMILES:
c12c(O)cc(C(O)CCCC)cc1OC(C)(C)C1C2CC(O)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.738

InChIKey:
JBLJPYUHMZQKBW-UHFFFAOYSA-N

ID: 103618

SMILES:
C12CCC(C)=CC1c1c(cc(CCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 103619

SMILES:
C1C(C)=C(CC=C(C)C)C(=O)c2c(cc(CCCCC)cc2O)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -11.888

InChIKey:
WCWXPZOWUCHSAL-UHFFFAOYSA-N

ID: 103620

SMILES:
CC(=CCCC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 103621

SMILES:
C12C(C(C)(C)Oc3c1ccc(CCCCCCCC)c3)CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.551

CB1 binding score: -15.526

InChIKey:
QXUGXXCTKCDRMM-UHFFFAOYSA-N

ID: 103622

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 103623

SMILES:
C(CCCC(CC)C)c1cc(O)cc(CC2C(=C)CCC(C)(C(C)C)C2)c1C(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -15.805

InChIKey:
CZGYTFHMBVDKMY-UHFFFAOYSA-N

ID: 103624

SMILES:
c1(OC)ccc(OC)cc1C1C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.814

InChIKey:
OFJSDHLGLZNWGY-UHFFFAOYSA-N

ID: 103625

SMILES:
O1c2c(c(O)cc(C(CCCCC)=C(C)O)c2)C2C(C)(O)CC=CC(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 564.763

CB1 binding score: -16.608

InChIKey:
QTLUWPLMTBSEDJ-UHFFFAOYSA-N

ID: 103626

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 103627

SMILES:
C1(C)=CC(c2cc(CCC(=O)OCCN(C)C)ccc2OC)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 385.548

CB1 binding score: -15.929

InChIKey:
IMMYRBSWMCQBLS-UHFFFAOYSA-N

ID: 103628

SMILES:
C1C(C(=C)C)C(c2c(O)c(C)c(OC)cc2)C=C(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.943

InChIKey:
WSIPPRVKFAVQLB-UHFFFAOYSA-N

ID: 103629

SMILES:
C12=C(C(O)C(C)(CO)C1)C(O)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -14.584

InChIKey:
WWIBFLMCFJAVAZ-UHFFFAOYSA-N

ID: 103630

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(=C)CCC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -14.206

InChIKey:
CYMVXVPPZXUROB-UHFFFAOYSA-N

ID: 103631

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -17.842

InChIKey:
UEBHUEXCBBRFFS-UHFFFAOYSA-N

ID: 103632

SMILES:
C12(C)C(CCC(C)=CC1c1c(O)cc(C)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -14.808

InChIKey:
MZIMXVCCVYNLDI-UHFFFAOYSA-N

ID: 103633

SMILES:
C1C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.935

InChIKey:
MJXUOMRQWPNCBO-UHFFFAOYSA-N

ID: 103634

SMILES:
C(CCC(=CCc1c(O)cc(CCCO)cc1O)C(=O)O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -15.006

InChIKey:
RLXYEQRIGHUVFJ-UHFFFAOYSA-N

ID: 103635

SMILES:
C12C(C)CCC1C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -18.57

InChIKey:
JWVNDMUNWMFDDK-UHFFFAOYSA-N

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103615–103635 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